Theoretical study on nano-physics of the interfaces between the molecular bridge and the electrode surfaces

• Project/Area Number: 22510107
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Nanostructural science
• Research Institution: Osaka University
• Principal Investigator: NAKANISHI Hiroshi 大阪大学, 工学研究科, 助教 (40237326)
• Co-Investigator(Kenkyū-buntansha): KASAI Hideaki 大阪大学, 工学研究科, 教授 (00177354)
• Project Period (FY): 2010 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000); Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2011: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000); Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
• Keywords: ナノ構造物性 / 分子性架橋 / 接合界面 / 第一原理計算 / ナノ物性 / ナノコンタクト / 分子エレクトロニクス / 計算機マテリアルデザイン / ポルフィリン

Research Abstract

We investigated the nano-physics of the interfaces between the molecular bridge and the electrode surfaces with the aid of the first-principles simulations, and design the interface structure to developing the molecular bridge devices. In the preferred interface structure, the bridge molecule is terminated by the nitride atoms, whose coordination positions face the titanium electrode surface.

Research Products

• [Journal Article] Computational mechanistic study of borohydride electrochemical oxidation on Au3Ni(111) (2013)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Sison Escano, Hideaki Kasai
  • Journal Title: The Journal of Physical Chemistry C Volume: 117 Issue: 8 Pages: 3818-3825
  • DOI: 10.1021/jp311904k
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Dihydride Structures of Deuterium on Germanium (001) Surfaces (2013)
  • Author(s): Abdulla Sarhan, Ong Yi Ching, Hiroshi Nakanishi, Katsuyuki Fukutani, Hideaki Kasai
  • Journal Title: Journal of Applied Physics Volume: 113 Issue: 2 Pages: 023703-023703
  • DOI: 10.1063/1.4774097
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Structure and stability of borohydride on Au(111) and Au3M(111) (M = Cr, Mn, Fe, Co, Ni) surfaces (2013)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Sison Escano, Andrew Yu-Sheng Wang, Hideaki Kasai
  • Journal Title: Dalton Transactions Volume: 43(3) Issue: 3 Pages: 770-775
  • DOI: 10.1039/c2dt32226a
  • NAID: 120005568362
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Adsorption of formaldehyde and formyl intermediates on Pt, PtRu-, and PtRuMo-alloy surfaces: A density functional study (2013)
  • Author(s): Wahyu Tri Cahyanto, Ganes Shukri, Mohammad Kemal Agusta, Hideaki Kasai
  • Journal Title: Applied Surface Science Volume: 266 Pages: 405-409
  • DOI: 10.1016/j.apsusc.2012.12.046
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Effects of Hindered Rotation on H_2 Nuclear Spin Conversion on Ag(111) (2013)
  • Author(s): Yuji Kunisada, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 82 Issue: 2 Pages: 023601-023605
  • DOI: 10.7566/jpsj.82.023601
  • Peer Reviewed
• [Journal Article] Molecular oxygen adsorption on ferromagnetic platinum (2013)
  • Author(s): Mary Clare Sison Escano, Nguyen Tien Quang, Hideaki Kasai
  • Journal Title: Chemical Physics Letters Volume: 555 Pages: 125-125
  • DOI: 10.1016/j.cplett.2012.10.091
  • Peer Reviewed
• [Journal Article] Adhitya Gandaryus Saputro, Hideaki Kasai, A first principle study on Zinc-porphyrin interaction with O2 in Zinc-Porphyrin(Oxygen) complex (2012)
  • Author(s): Febdian Rusydi, Mohammad Kemal Agusta
  • Journal Title: Jounal of Physical Society of Japan Volume: 81巻 Issue: 12 Pages: 124301-12
  • DOI: 10.1143/jpsj.81.124301
  • Peer Reviewed
• [Journal Article] Theoretical study on hydrazine chemisorption on transition metal surfaces (2012)
  • Author(s): Mohammad Kemal Agusta, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 81 Issue: 12 Pages: 124705-14
  • DOI: 10.1143/jpsj.81.124705
  • NAID: 40019525254
  • Peer Reviewed
• [Journal Article] First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT) (2012)
  • Author(s): Triati Dewi Kencana Wungu, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Hermawan Kresno Dipojono, Hideaki Kasai
  • Journal Title: Journal of Physics Condensed Matter Volume: 24巻 Issue: 47 Pages: 475506-475506
  • DOI: 10.1088/0953-8984/24/47/475506
  • Peer Reviewed
• [Journal Article] Electron-Vibron Interaction Effects on Scanning Tunneling Microscopy Current through Melamine Adsorbed on Cu(100) (2012)
  • Author(s): Abdulla Sarhan, Mamoru Sakaue, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 81 Issue: 10 Pages: 10471-8
  • DOI: 10.1143/jpsj.81.104711
  • NAID: 210000109743
  • Peer Reviewed
• [Journal Article] Realization of the Switching Mechanism in Resistance Random Access Memory (RRAMTM) Devices: Structural and Electronic Properties Affecting Electron Conductivity in Halfnium Oxide-Electrode (2012)
  • Author(s): Susan Menez Aspera, Hideaki Kasai, Hirofumu Kishi, Nobuyoshi Awaya, Shigeo Ohnishi, Yukio Tamai
  • Journal Title: Journal of Electronic Materials Volume: 42巻 Issue: 1 Pages: 143-150
  • DOI: 10.1007/s11664-012-2270-8
  • Peer Reviewed
• [Journal Article] A theoretical study of the reactivity of Cu2O(111) surfaces: the case of NO dissociation (2012)
  • Author(s): Hirofumi Kishi, Allan Abraham Bustria Padama, Ryan Lacdao Arevalo, Joaquin Lorenzo Valmoria Moreno, Hideaki Kasai, Masahi Taniguchi, Mari Uenishi, Hirohisa Tanaka, Yasuo Nishihata
  • Journal Title: Journal of Physics: Condensed Matter Volume: 24 Issue: 26 Pages: 262001-262001
  • DOI: 10.1088/0953-8984/24/26/262001
  • Peer Reviewed
• [Journal Article] Study of NO Oxidation Reaction over the Pt Cluster Supported on γAl2O3(111) surface (2012)
  • Author(s): Hirofumi Kishi, Ferensa Oemry, Tien Quang Nguyen, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi
  • Journal Title: Current Applied Physics Volume: 12 Pages: S110-S114
  • DOI: 10.1016/j.cap.2012.05.003
  • Peer Reviewed
• [Journal Article] Ab initio Investigation of Hydrogen Atom Adsorption and Absorption on Pd(110) Surface (2012)
  • Author(s): Allan Abraham B. Padama, Hideaki Kasai, Yogi Wibisono Budhi, Nelson B. Arboleda, Jr.
  • Journal Title: Journal of the Physical Society of Japan Volume: 2 Issue: 11 Pages: 114705-114705
  • DOI: 10.1143/jpsj.81.114705
  • NAID: 40019484380
  • Peer Reviewed
• [Journal Article] Analysis of structural and electronic properties of Pr2NiO4 through first-principles calculation (2012)
  • Author(s): Susan Menez Aspera, Mamoru Sakaue, Triati Dewi Kencana Wungu, Musa Alaydrus, Tran Phan Thuy Linh, Hideaki Kasai, Motohiro Nakanishi, Tatsumi Ishihara
  • Journal Title: Journal of Physics: Condensed Matter Volume: 24 Issue: 40 Pages: 405504-405504
  • DOI: 10.1088/0953-8984/24/40/405504
  • Peer Reviewed
• [Journal Article] A Density Functional Theory Study on the Origin of Lithium-Montmorillonite's Conductivity at Low Water Content: A First Investigation (2012)
  • Author(s): Triati Dewi Kencana Wungu, Febdian Rusydi, Hermawan Kresno Dipojono, Hideaki Kasai
  • Journal Title: Solid State Communication Volume: 152 Issue: 19 Pages: 1862-1866
  • DOI: 10.1016/j.ssc.2012.06.020
  • Peer Reviewed
• [Journal Article] A theoretical study of the structure and stability of borohydride on 3d transition metals (2012)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Escano, Elod Gyenge, Hideaki Kasai
  • Journal Title: Surface Science Volume: 606 Issue: 23-24 Pages: 1954-1959
  • DOI: 10.1016/j.susc.2012.08.004
  • NAID: 120005568361
  • Peer Reviewed
• [Journal Article] First-principles study on oxygen ion conduction of La2GeO5 based on the density functional theory (2012)
  • Author(s): Mamoru Sakaue, Wahyu Tri Cahyanto, Triati Dewi Kencana Wungu, Susan Menez Aspera, Kuniyuki Miwa, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi
  • Journal Title: Journal of Physics: Conference Series Volume: 379 Pages: 12012-12012
  • DOI: 10.1088/1742-6596/379/1/012012
  • Peer Reviewed
• [Journal Article] Ferromagnetic Nanostructures of Oxygen on Ag(111) (2012)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Journal of Physics : Conference Series Volume: 379 Pages: 12013-12013
  • DOI: 10.1088/1742-6596/379/1/012013
  • Peer Reviewed
• [Journal Article] First principles study of ortho-para H_2 conversion on the O_2(0.25 ML)/Ag(111) system (2012)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Current Applied Physics Volume: 12 Pages: 115-115
  • DOI: 10.1016/j.cap.2012.04.017
  • Peer Reviewed
• [Journal Article] NO dissociation on Cu(111) and Cu2O(111) surfaces: a density functional theory based study (2012)
  • Author(s): Allan Abraham Padama, Hirofumi Kishi, Ryan Arevalo, Joaquin Moreno, Hideaki Kasai, Masashi Taniguchi, Mari Uenishi, Hirohisa Tanaka, Yasuo Nishihata
  • Journal Title: Journal of Physics: Condensed Matter Volume: 24 Issue: 17 Pages: 175005-175005
  • DOI: 10.1088/0953-8984/24/17/175005
  • Peer Reviewed
• [Journal Article] Density functional theory-based analysis of O2 molecular interaction with the tr-s-triazine-based graphitic carbon nitride (2012)
  • Author(s): Susan Menez Aspera, Hideaki Kasai, Hiroyuki Kawai
  • Journal Title: Surface Science Volume: 606 Issue: 11-12 Pages: 892-901
  • DOI: 10.1016/j.susc.2012.01.011
  • Peer Reviewed
• [Journal Article] Reactivity descriptors of borohydride interaction on metal surfaces (2011)
  • Author(s): Mary Clare Sison Escano, Elod Gyenge, Ryan Arevalo, Hideaki Kasai
  • Journal Title: Journal of Physical Chemistry C Volume: 115 Issue: 40 Pages: 19883-19883
  • DOI: 10.1021/jp207768e
  • Peer Reviewed
• [Journal Article] Controllability of Electrical Conductivity by Oxygen Vacancies and Charge Carrier Trapping at Interface between CoO and Electrodes (2011)
  • Author(s): Hirofumi Kishi, Abdulla Ali Abdulla Sarhan, Mamoru Sakaue, Susan Menez Aspera, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Yukio Tamai1, Shigeo Ohnishi, Nobuyoshi Awaya
  • Journal Title: Japanese Journal of Applied Physics Volume: 50巻 Issue: 7R Pages: 71101-7
  • DOI: 10.1143/jjap.50.071101
  • NAID: 210000070817
  • Peer Reviewed
• [Journal Article] Absorption of Lithium in Montmorillonite: A Density Functional Theory (DFT) Study (2011)
  • Author(s): Triati Dewi Kencana Wungu, Susan Menez Aspera, Melanie Yadao David, Hermawan Kresno Dipojono, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Nanoscience and Nanotechnology Volume: 11巻 Issue: 4 Pages: 2793-2801
  • DOI: 10.1166/jnn.2011.3913
  • Peer Reviewed
• [Journal Article] Density functional theory study on the interaction of O2 molecule with Cobalt-(6)Pyrrole clusters (2011)
  • Author(s): Hermawan Kresno Dipojono, Adhitya Gandaryus Saputro, Susan Menez Aspera, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 50巻 Issue: 5R Pages: 55702-7
  • DOI: 10.1143/jjap.50.055702
  • NAID: 210000070459
  • Peer Reviewed
• [Journal Article] Molecular and electronic tuning of Si/CNT hybrid system (2011)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 50巻 Issue: 4R Pages: 45701-6
  • DOI: 10.1143/jjap.50.045701
  • Peer Reviewed
• [Journal Article] Hydronium Adsorption on OOH Precovered Pt(111) Surface: Effects of Electrode Potential (2011)
  • Author(s): Do Ngoc Son, Bach Thanh Cong, and Hideaki Kasai
  • Journal Title: Journal of Nanoscience and Nanotechnology Volume: Vol.11 Issue: 4 Pages: 2983-2989
  • DOI: 10.1166/jnn.2011.3903
  • Peer Reviewed
• [Journal Article] Nitric Oxide adsorption effects on metal phthalocyanines (2011)
  • Author(s): Tien Quang Nguyen, Mary Clare Escano, Hideaki Kasai
  • Journal Title: Journal of Physical Chemistry B Volume: 79巻 Issue: 31 Pages: 10017-10021
  • DOI: 10.1021/jp1035426
  • Peer Reviewed
• [Journal Article] Theoretical study of hydrazine adsorption on Pt(111): Anti or cis? (2011)
  • Author(s): M.K.Agusta, W.A.Dino, M.David, H.Nakanishi, H.Kasai
  • Journal Title: Surface Science Volume: Vol.605 Issue: 15-16 Pages: 1347-1353
  • DOI: 10.1016/j.susc.2011.04.029
  • Peer Reviewed
• [Journal Article] Favorable pathway of O_2 dissociative adsorption on a single platinum a datom coated on gamma-alumina (111) surface : a density functional theory study (2011)
  • Author(s): Wahyu Tri Cahyanto, Ferensa Oemry, Allan Abraham B.Padama, Mamoru Sakaue, Rachid Belkada, Susan M.Aspera, Masahiro Chikaishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
  • Journal Title: Japanese Journal of Applied Physics Volume: 50 Issue: 10R Pages: 105602-105602
  • DOI: 10.1143/jjap.50.105602
  • Peer Reviewed
• [Journal Article] Analysis of band gap formation in graphene by Si impurities : local bonding interaction rules (2011)
  • Author(s): Mary Clare Sison Escano, Nguyen Tien Quang, Hideaki Kasai
  • Journal Title: Chemical Physics Letters Volume: 85 Issue: 1-3 Pages: 515-515
  • DOI: 10.1016/j.cplett.2011.08.087
  • Peer Reviewed
• [Journal Article] Pt(111)-Alloy Surfaces for Non-Activated OOH Dissociation (2011)
  • Author(s): W.Cahyanto, M.C.Escano, H.Kasai, R.L.Arevalo
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 9 Pages: 352-356
  • DOI: 10.1380/ejssnt.2011.352
  • NAID: 130004439292
  • ISSN: 1348-0391
  • Peer Reviewed
• [Journal Article] Forced unsteady state operation to improve H2 permeability through Pd–Ag membrane during start-up (2011)
  • Author(s): Y.W.Budhi, I.Noezar, F.Aldiansyah, P.V.Kemala, A.A.B.Padama, h.Kasai, Subagjo
  • Journal Title: International Journal of Hydrogen Energy Volume: Vol.36 Issue: 23 Pages: 15372-15381
  • DOI: 10.1016/j.ijhydene.2011.08.110
  • Peer Reviewed
• [Journal Article] Surface magnetism in O_2 dissociation (2011)
  • Author(s): Fuji Kunisada, Mary Clare Sison Escano, Hideaki Kasai
  • Journal Title: Journal of Physics : Condensed Matter Volume: 23 Issue: 39 Pages: 394207-394207
  • DOI: 10.1088/0953-8984/23/39/394207
  • Peer Reviewed
• [Journal Article] First Principles Study on the Adsorption and Dehydrogenation of Borohydride on Mn(111) (2011)
  • Author(s): Ryan L.Arevalo, Mary Clare S.Escano, Hideaki Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 9 Pages: 257-264
  • DOI: 10.1380/ejssnt.2011.257
  • NAID: 130004934146
  • ISSN: 1348-0391
  • Peer Reviewed
• [Journal Article] A First Principles Study of O_2/Ag(111)-Adsorption and Magnetic Properties- (2011)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 80 Issue: 8 Pages: 084605-084605
  • DOI: 10.1143/jpsj.80.084605
  • Peer Reviewed
• [Journal Article] Effect of Lithium Absorption at Tetrahedral Site and Isomorphic Substitution on Montmorillonite Properties : A Density Functional Theory Study (2011)
  • Author(s): Triati Dewi Kencana Wungu, Wilson Agerico Dino, Hermawan Kresno Dipojono, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 50 Issue: 5R Pages: 055701-055701
  • DOI: 10.1143/jjap.50.055701
  • NAID: 40018812644
  • Peer Reviewed
• [Journal Article] Molecular and Electronic Tuning of Si/Carbon Nanotube Hybrid System (2011)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 50 Issue: 4R Pages: 045101-045101
  • DOI: 10.1143/jjap.50.045101
  • NAID: 40018800886
  • Peer Reviewed
• [Journal Article] First-principles Investigation on Ionization Strength, Volume Expansion, and Water Rotational Rigidity of Small Water Cluster Systems Formed around Sodium(I), Calcium(II), and Iron(II) Ions (2011)
  • Author(s): Handoko Setyo Kuncoro, Mamoru Sakaue, Hiroshi Nakanishi, Hermawan Kresno Dipojono, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 80 Issue: 2 Pages: 024601-024601
  • DOI: 10.1143/jpsj.80.024601
  • NAID: 210000108892
  • Peer Reviewed
• [Journal Article] Pt/Cr and Pt/Ni catalysts for oxygen reduction reaction : To alloy or not to alloy? (2011)
  • Author(s): Mary Clare Escano, Elod Gyenge, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Nanoscience and Nanotechnology Volume: 11 Issue: 4 Pages: 2944-2951
  • DOI: 10.1166/jnn.2011.3899
  • Peer Reviewed
• [Journal Article] Nitrogen Monoxide Adsorption on Pt_4 Clusters Coated on γAl_2O_3(111) Surface (2011)
  • Author(s): Ferensa Oemry, Mary Clare Escano, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
  • Journal Title: Journal of Nanoscience and Nanotechnology Volume: 11 Issue: 4 Pages: 2844-2850
  • DOI: 10.1166/jnn.2011.3915
  • Peer Reviewed
• [Journal Article] Density functional theory study on the interaction of O_2 molecule with Cobalt-(6)Pyrrole clusters (2011)
  • Author(s): Hermawan Kresno Dipoiono, Adhitya Gandaryus Saputro, Susan Menez Aspera, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: (accepted)
  • Peer Reviewed
• [Journal Article] Quantum States and Diffusion of Lithium Atom Motion on a Graphene (2011)
  • Author(s): Yoshiyuki Kubota, Nobuki Ozawa, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan Volume: 79 Pages: 14601-14606
  • NAID: 10025964274
  • Peer Reviewed
• [Journal Article] Hydronium Adsorption on OOH Precovered Pt(111) Surface : Effects of Electrode Potential (2011)
  • Author(s): Do Ngoc Son, Bach Thanh Cong, Hideaki Kasai
  • Journal Title: Journal of Nanoscience and Nanotechnology Volume: 11 Pages: 2983-2989
  • Peer Reviewed
• [Journal Article] First principles study of the Adsorption of Water Molecule on Tri-s-triazine based Graphitic Carbon Nitride (g-C3N4) (2010)
  • Author(s): Susan Aspera, Melanie David, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 49巻 Issue: 11R Pages: 115703-115712
  • DOI: 10.1143/jjap.49.115703
  • Peer Reviewed
• [Journal Article] Adsorption properties of BF4- anions on grapheme (2010)
  • Author(s): Yuji Kunisada, Hirofumi Kishi, Fajarisandi Dimas, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Takuma Asari, Shigeo Hayashi
  • Journal Title: Japanese Journal of Applied Physics Volume: 49巻 Issue: 2S Pages: 02BB04-02BB04
  • DOI: 10.1143/jjap.49.02bb04
  • Peer Reviewed
• [Journal Article] Hydrazine(N2H4) adsorption on Ni(100)-Density functional theory investigation (2010)
  • Author(s): Mohammad Kemal Agusta, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Surface Science Volume: 604巻 Pages: 245-251
  • Peer Reviewed
• [Journal Article] First principles study of the Adsorption of Water Molecule on Tri-s-triazine based Graphitic Carbon Nitride (g-C_3N_4) (2010)
  • Author(s): Susan Aspera, Melanie David, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics Volume: 49 Pages: 115703-115712
  • Peer Reviewed
• [Journal Article] Adsorption properties of BF_4^- anions on graphene (2010)
  • Author(s): Yuji Kunisada, Hirofumi Kishi, Fajarisandi Dimas, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Takuma Asari, Shigeo Hayashi
  • Journal Title: Japanese Journal of Applied Physics Volume: 49
  • Peer Reviewed
• [Journal Article] Hydrazine (N_2H_4) adsorption on Ni(100) -Density functional theory investigation (2010)
  • Author(s): Mohammad Kemal Agusta, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Surface Science Volume: 604 Pages: 245-251
  • Peer Reviewed
• [Presentation] First-principles Study on Oxygen Vacancy Migration in Alkaline-earth Doped Monoclinic Lanthanum, Germanate (2013)
  • Author(s): Tran Phan Thuy Linh, Mamoru Sakaue, Musa Alaydrus, Triati Dewi Kencana Wungu, Susan Menez Aspera, Hideaki Kasai, Tatsumi Ishihara, Takahiro Mohri
  • Organizer: 第60回応用物理学会春季学術講演会
  • Place of Presentation: 神奈川工科大学, 厚木市(神奈川県)
• [Presentation] 走査トンネル顕微鏡発光における電子・分子振動・プラズモンのダイナミクス (2013)
  • Author(s): 三輪邦之, 坂上 護, 笠井 秀明
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学 東広島キャンパス(広島県)
• [Presentation] Interplay between dynamics of molecule and surface plasmons in scanning tunneling microscopeinduced light emission (2013)
  • Author(s): Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
  • Organizer: American Physical Society March Meeting 2013
  • Place of Presentation: Baltimore Convention Center, Baltimore, Maryland, USA
• [Presentation] Surface interactions investigated through Computational Materials Design® (2013)
  • Author(s): Allan Abraham B. Padama, Hideaki Kasai
  • Organizer: Green Leaders Youth Energy Summit / Osaka University - De La Salle University Miniworkshop
  • Place of Presentation: De La Salle University マニラ フィリピン
• [Presentation] Interplay between dynamics of molecule and surface plasmons in scanning tunneling microscope-induced light emission (2013)
  • Author(s): Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
  • Organizer: American Physical Society March Meeting 2013
  • Place of Presentation: Baltimore Convention Center, Baltimore, Maryland, USA
• [Presentation] W(110)上におけるCo/Ni多重層の構造と磁気特性の関係に関する理論的研究 (2013)
  • Author(s): 小島一希,Wilson Agerico Dino,鈴木雅彦,安江常夫,工藤和恵,阿久津典子,Ernst Bauer,越川孝範,笠井秀明, 阪大工,大阪電通大A,お茶大理B,アリゾナ州大C
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学 東広島キャンパス（広島県）
• [Presentation] 銀表面上での水素分子の吸着状態と仕事関数に関する理論的研究 (2013)
  • Author(s): 國貞 雄治,中西 寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学 東広島キャンパス（広島県）
• [Presentation] Al(111)表面上での酸素分子の解離吸着反応における表面サイト及び分子配向依存性 (2013)
  • Author(s): 清水 康司,Wilson Agerico Dino,笠井 秀明
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学 東広島キャンパス（広島県）
• [Presentation] 走査トンネル顕微鏡発光における電子・分子振動・プラズモンのダイナミクス (2013)
  • Author(s): 三輪邦之, 坂上 護, 笠井 秀明
  • Organizer: 日本物理学会第68回年次大会
  • Place of Presentation: 広島大学 東広島キャンパス（広島県）
• [Presentation] First-principles Study on Oxygen Vacancy Migration in Alkaline-earth Doped Monoclinic Lanthanum Germanate (2013)
  • Author(s): Tran Phan Thuy Linh, Mamoru Sakaue, Musa Alaydrus, Triati Dewi Kencana Wungu, Susan Menez Aspera, Hideaki Kasai, Tatsumi Ishihara, Takahiro Mohri
  • Organizer: 第60回応用物理学会春季学術講演会
  • Place of Presentation: 神奈川工科大学, 厚木市（神奈川県）
• [Presentation] Density functional theory analysis of Oxygen adsorption on Anatase (001) surfaces (2013)
  • Author(s): Nguyen Hoang Linh, Ganes Shukri, Hideaki Kasai
  • Organizer: 第60回応用物理学会春季学術講演会
  • Place of Presentation: 神奈川工科大学, 厚木市（神奈川県）
• [Presentation] 希土類系高速酸素イオン伝導体に関する第一原理シミュレーション (2013)
  • Author(s): 坂上 護, 笠井 秀明, 石原 達己, 毛利 孝裕
  • Organizer: 第60回応用物理学会春季学術講演会
  • Place of Presentation: 神奈川工科大学, 厚木市（神奈川県）
• [Presentation] 表面プラズモンに誘起される分子振動励起 (2012)
  • Author(s): 三輪邦之, 坂上護, 笠井秀明
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学(兵庫県)
• [Presentation] Structure and stability of borohydride on Au(111) and Au3M(111) surfaces (2012)
  • Author(s): R.L. Arevalo, M.C.S. Escano, H. Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター(大阪府)
• [Presentation] Structural Stabillity and Electronic Structure Analysis on the Influence of Water Adsorbed on Lithium-Montmorillonite: A Density Functional Theory Study (2012)
  • Author(s): Triati Dewi Kencana Wungu, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中之島センター(大阪府)
• [Presentation] A Density Functional Theory Study on the Water and Anion Formation Reaction on Co-Ppy Cluster (2012)
  • Author(s): Adhitya G. Saputro , Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled, Fabrication Technology
  • Place of Presentation: 大阪大学中之島センター(大阪府)
• [Presentation] Changes in borohydride structures on Os with respect to catalyst, water co-adsorption and electric field (2012)
  • Author(s): Mary Clare Escano, Elod Gyenge, Ryan Arevalo, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中之島センター(大阪府)
• [Presentation] Quantum simulation for proton and muon on solid surfaces and in subsurfaces (2012)
  • Author(s): Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学(大阪府)
• [Presentation] Molecular Electronic and Vibrational Dynamics Induced by Surface Plasmons (2012)
  • Author(s): 三輪邦之,坂上護,笠井秀明
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学(大阪府)
• [Presentation] Vibrational Dynamics of Molecules Induced by Surface Plasmons (2012)
  • Author(s): 三輪邦之,坂上護,笠井秀明
  • Organizer: Vibrations at Surfaces
  • Place of Presentation: ニチイ学館 神戸ポートアイランドセンター(兵庫県)
• [Presentation] A DENSITY FUNCTIONAL THEORY STUDY ON THE ADSORPTION OF O2 AND H2O2, MOLECULES ON THE Co-NX CLUSTERS (2012)
  • Author(s): Adhitya Gandaryus, Hidekai Kasai
  • Organizer: 6th International Fuel Cell Workshop
  • Place of Presentation: 甲府冨士屋ホテル(山梨県)
• [Presentation] Controlling oxidation on platinum by spin manipulation (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Nanotech2012
  • Place of Presentation: スタンフォード大学 Santa Clara, California U.S.A
• [Presentation] Porphyrins and macrocycles: From basics to applications (2012)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Hideaki Kasai
  • Organizer: ECS 221st Meeting
  • Place of Presentation: Washington State Convention Center, Seatle, Washington, USA
• [Presentation] DFT-based invetsigations on the interaction of oxygen, hydrogen peroxide, and silicon clusters with single-walled carbon nanotubes (2012)
  • Author(s): Joaquin Moreno, Melanie David, Mary Clare Escano, Nguyen Tien Quang, Hideaki Kasai
  • Organizer: International Symposium on Carbon Nanotube Nanoelectronics (CNT-NE2012)
  • Place of Presentation: Hotel Rubura Ohzan(愛知県）
• [Presentation] Controlling oxidation on platinum by spin manipulation (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Nanotech2012
  • Place of Presentation: スタンフォード大学 Santa Clara, California U.S.A.
• [Presentation] A DENSITY FUNCTIONAL THEORY STUDY ON THE ADSORPTION OF O2 AND H2O2 MOLECULES ON THE Co-NX CLUSTERS (2012)
  • Author(s): Adhitya Gandaryus, Hidekai Kasai
  • Organizer: 6th International Fuel Cell Workshop
  • Place of Presentation: 甲府冨士屋ホテル（山梨県）
• [Presentation] Controlling oxidation on platinum by spin manipulation (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 6th International Fuel Cell Workshop
  • Place of Presentation: 甲府冨士屋ホテル（山梨県）
• [Presentation] NANIWA seriesの開発と水素研究 (2012)
  • Author(s): 笠井秀明
  • Organizer: 第10回 水素量子アトミクス研究会
  • Place of Presentation: 高エネルギー研究機構 つくばキャンパス（茨城県）
  • Invited
• [Presentation] Density Functional Theory-based Analysis on O2 Molecular Interaction with the Doped and Un-doped Tri-s-triazine-based graphitic Carbon Nitride (2012)
  • Author(s): Susan Meｎez Aspera,Hideaki Kasai
  • Organizer: 28th European conference on surface science
  • Place of Presentation: Edinburgh International Conference Centre,Edinburgh, Untied Kingdom
• [Presentation] Oxygen adsorption on ferromagnetic platinum (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 28th European conference on surface science
  • Place of Presentation: Edinburgh International Conference Centre, Edinburgh, United Kingdom
• [Presentation] First Principles Study on the Oxygen-Vacancy Migration in LaGaO3 (2012)
  • Author(s): Triati Dewi Kencana Wungu, Susan Menez Aspera, Musa Alaydrus, Tranh Linh, Mamoru Sakaue, Sinichi Kunikata, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai, Tatsumi Ishihara
  • Organizer: 28th European conference on surface science
  • Place of Presentation: Edinburgh International Conference Centre,Edinburgh, Untied Kingdom
• [Presentation] Electronic Structure and Magnetic Properties of Iron-Pnictide (2012)
  • Author(s): Nguyen Hoang Linh, Masako Ogura, Hisazumi Akai
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県）
• [Presentation] 銀表面上吸着酸素の強磁性状態の安定性 (2012)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Diｎo, 笠井秀明
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学(神奈川県）
• [Presentation] W(110)基板上におけるCo/Niマルチレイヤーにおける磁気異方性の理論的研究 (2012)
  • Author(s): 小島一希,Wilson Agerico Dino,鈴木雅彦,安江常夫,工藤和恵,阿久津典子,Ernst Bauer,越川孝範,笠井秀明, 阪大工,大阪電通大A,お茶大理B,アリゾナ州大C
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県）
• [Presentation] 表面プラズモンに誘起される分子振動ダイナミクス (2012)
  • Author(s): 三輪邦之,坂上 護,笠井 秀明
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県）
• [Presentation] ペロブスカイト型酸化物の強誘電性に対する元素置換の影響 (2012)
  • Author(s): 岡耕平,中西寛,笠井秀明
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県）
• [Presentation] 金属表面近傍におけるミューオン・水素のバンド構造と荷電状態 (2012)
  • Author(s): 中西寛,笠井秀明
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大学（神奈川県）
• [Presentation] Microscopic mechanisms of oxygen-ionic conduction in rare-earth-based oxides (2012)
  • Author(s): 坂上護,笠井秀明
  • Organizer: Vibrations at Surfaces
  • Place of Presentation: ニチイ学館 神戸ポートアイランドセンター（兵庫県）
• [Presentation] Vibrational Dynamics of Molecules Induced by Surface Plasmons (2012)
  • Author(s): 三輪邦之,坂上護,笠井秀明
  • Organizer: Vibrations at Surfaces
  • Place of Presentation: ニチイ学館 神戸ポートアイランドセンター（兵庫県）
• [Presentation] Molecular Electronic and Vibrational Dynamics Induced by Surface Plasmons (2012)
  • Author(s): 三輪邦之,坂上護,笠井秀明
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] The substitution influence on the ferroelectrics about Pb(Zr,Ti)O3 (2012)
  • Author(s): 岡耕平,中西寛,笠井秀明
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Effects of Spin-polarization of Pt on Oxygen Dissociative Adsorption (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Molecular Orientation and Surface Site Dependence of Dissociative Adsorption of O2/Al(111) (2012)
  • Author(s): Koji Shimizu, W.A. Dino, Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Electronic and Magnetic properties in Co[1ML]/Ni[2ML] multi-layer on W(110) (2012)
  • Author(s): Kazuki Kojima, Wilson Agerico Dino, Masahiko Suzuki, Tsuneo Yasue, Kazue Kudo, Noriko Akutsu, Ernst Bauer, Takanori Koshikawa,Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] First Principles Calculations on the Water and Anion Formation Reactions on Co-Ppy Cluster (2012)
  • Author(s): Adhitya G. Saputro,Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Effects of H2 Hindered Rotational States on the Ortho-Para H2 Conversion on Ag(111) (2012)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] First principles investigation of work function variation in Cs-W(110) system at different Cs coverage (2012)
  • Author(s): A.A.B. Padama, K. Shimizu, Y. Kunisada, H. Nakanishi, H. Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Structure and stability of borohydride on Au(111) and Au3M(111) surfaces (2012)
  • Author(s): R.L. Arevalo, M.C.S. Escano, H. Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Analysis of the structural and electronic properties of Pr2NiO4 oxide through first principles calculations (2012)
  • Author(s): SM Aspera, M Sakaue, TDK Wungu, M Alaydrus, TPT Linh, H Kasai, M Nakanishi, T. Ishihara
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Quantum simulation for proton and muon on solid surfaces and in subsurfaces (2012)
  • Author(s): Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] :Computational Materials Design from basics to real applications (2012)
  • Author(s): Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Organizer: International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
  • Place of Presentation: 大阪大学（大阪府）
• [Presentation] Effect of H2 Diffusion on the ortho-para H2 Conversion on the O2/Ag(111) system (2012)
  • Author(s): Y. Kunisada, H.Nakanishi, W. A. Dino, H. Kasai
  • Organizer: International symposium onmetal-hydrogen systems -fundamentals and applications-
  • Place of Presentation: 京都テルサ（京都府）
• [Presentation] Density Functional Theory Investigation on Hydrogen Atom Adsorption and Absorption on Pd(110) and Pd3Ag(110) Surfaces (2012)
  • Author(s): Allan Abraham B. Padama, Hideaki Kasai, Yogi Wibisono Budhi, Nelson B. Arboleda Jr.
  • Organizer: International symposium onmetal-hydrogen systems -fundamentals and applications-
  • Place of Presentation: 京都テルサ（京都府）
• [Presentation] Changes in borohydride structures on Os with respect to catalyst, water co-adsorption and electric field (2012)
  • Author(s): Mary Clare Escano, Elod Gyenge, Ryan Arevalo, Hideaki Kasai
  • Organizer: International symposium onmetal-hydrogen systems -fundamentals and applications-
  • Place of Presentation: 京都テルサ（京都府）
• [Presentation] Electronic and Vibrational Excitations of Molecules Induced by Surface Plasmons (2012)
  • Author(s): Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Density functional theory study on the interaction between ZnP and O2 in ZnP-O2 complexes (2012)
  • Author(s): Febdian Rusydi, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] O2 adsorption and dissociation on CeO2-supported Pt nanoparticles: A DFT+U Study (2012)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Prediction about piezoelectric behavior of Pb(Zr,Ti)O3, Sn(Zr,Ti)O3, Ge(Zr,Ti)O3 (2012)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Changes in borohydride structures on Os with respect to catalyst, water co-adsorption and electric field (2012)
  • Author(s): Mary Clare Escano, Elod Gyenge, Ryan Arevalo, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] A theoretical study of magnetic properties in Co/Ni2 multi-layer on W(110) (2012)
  • Author(s): Kazuki Kojima, Wilson Agerico Dino, Masahiko Suzuki, Tsuneo Yasue, Kazue Kudo, Noriko Akutsu, Ernst Bauer, Takanori Koshikawa and Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] A Density Functional Theory Study on the Water and Anion Formation Reaction on Co-Ppy Cluster (2012)
  • Author(s): Adhitya G. Saputro , Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Ortho-Para H2 Conversion on Ag(111): DFT-D2 Study (2012)
  • Author(s): Y. Kunisada, H.Nakanishi, W. A. Dino, H. Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] The Variation of Work Function in Cs-W(110) System at Different Cs Coverage: A Density Functional Theory Study (2012)
  • Author(s): A.A.B. Padama, K. Shimizu, Y. Kunisada, H. Nakanishi, H. Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Structural Stabillity and Electronic Structure Analysis on the Influence of Water Adsorbed on Lithium-Montmorillonite: A Density Functional Theory Study (2012)
  • Author(s): Triati Dewi Kencana Wungu, Hideaki Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] Structure and stability of borohydride on Au(111) and Au3M(111) surfaces (2012)
  • Author(s): R.L. Arevalo, M.C.S. Escano, H. Kasai
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] DFT-based analysis of the structural and electronic properties of Pr2NiO4+δ oxide (2012)
  • Author(s): SM Aspera, M Sakaue, TDK Wungu, M Alaydrus, TPT Linh, H Kasai, M Nakanishi, T. Ishihara
  • Organizer: 5th International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: 大阪大学中の島センター（大阪府）
• [Presentation] 表面プラズモンに誘起される分子振動励起 (2012)
  • Author(s): 三輪邦之, 坂上護, 笠井秀明
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] A theoretical study on ZnP interaction with O2 via ZnP-O2 complexes using density functional theory (2012)
  • Author(s): Febdian Rusydi, Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] DFT+U investigation on the adsorption and dissociation of oxygen on Pt-coated Ceria (2012)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] ペロブスカイト型酸化物の薄膜化と強誘電性に関する研究 (2012)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Spin effects in metal surface reaction:O2 on ferromagnetic Pt/M (2012)
  • Author(s): Mary Clare Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] W(110)上のCo/Ni多重層における磁気異方性の理論的研究 (2012)
  • Author(s): 小島一希,Wilson Agerico Dino,鈴木雅彦,安江常夫,工藤和恵,阿久津典子,Ernst Bauer,越川孝範,笠井秀明, 阪大工,大阪電通大A,お茶大理B,アリゾナ州大C
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] A Density Functional Theory Study on the Oxygen Reduction Reaction on Co-(6)Ppy Cluster (2012)
  • Author(s): Adhitya G. Saputro,Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] 受賞講演：Ag(111)表面上の水素分子のオルソ・パラ転換におけるファン・デル・ワールス力の影響 (2012)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] 銀表面上0.5ML酸素原子超格子に発現する強磁性状態とその安定性 (2012)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Density Functional Theory Investigation on the behavior of H atoms on Pd(110) surface (2012)
  • Author(s): Allan Abraham B. Padama, Hideaki Kasai, Yogi Wibisono Budhi, Nelson B. Arboleda Jr.
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Activation barrier for oxygen atom migration in alkaline-earth doped monoclinic lanthanum germanate (2012)
  • Author(s): Tran Phan Thuy Linh, Mamoru Sakaue, Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] A First Principles Study on the Structural Stability and Electronic Structure of the Montmorillonite – Based Organoclay (2012)
  • Author(s): Triati Dewi Kencana Wungu, Hideaki Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Structure and stability of borohydride on Au(111) and Au3M(111) surfaces (2012)
  • Author(s): R.L. Arevalo, M.C.S. Escano, H. Kasai
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Analysis of structural and electronic properties of Pr2NiO4 oxide through first principles calculations (2012)
  • Author(s): SM Aspera, M Sakaue, TDK Wungu, M Alaydrus, TPT Linh, H Kasai, M Nakanishi, T. Ishihara
  • Organizer: 53rd Annual Symposium of the Vacuum Society of Japan
  • Place of Presentation: 甲南大学（兵庫県）
• [Presentation] Interplay between Molecular and Plasmon Luminescence Induced by Scanning Tunneling Microscopy (2012)
  • Author(s): Kuniyuki Miwa, Mamoru Sakaue, Hideaki Kasai
  • Organizer: Core-to-Core Program “Computational Materials Design on Green Energy” and Zernike Institute, University of Groningen, Joint International Symposium
  • Place of Presentation: Hampshire Hotel Plaza Groningen, Groningen, The Netherlands
• [Presentation] Molecular Orientation and Surface Site Dependence of Dissociative Adsorption of O2/Al(111) (2012)
  • Author(s): Koji Shimizu, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: Core-to-Core Program “Computational Materials Design on Green Energy” and Zernike Institute, University of Groningen, Joint International Symposium
  • Place of Presentation: Hampshire Hotel Plaza Groningen, Groningen, The Netherlands
• [Presentation] Surface as a Foundation for Materials and Process Design (2012)
  • Author(s): Hideaki Kasai, Wilson Agerico Dino
  • Organizer: Core-to-Core Program “Computational Materials Design on Green Energy” and Zernike Institute, University of Groningen, Joint International Symposium
  • Place of Presentation: Hampshire Hotel Pｌaza Groningen, Groningen, The Netherlands
  • Invited
• [Presentation] Pd 表面におけるミューオン・水素のバンド構造と荷電状態 (2012)
  • Author(s): 中西 寛 , 笠井 秀明
  • Organizer: 第6回 物性科学領域横断研究会 (領域合同研究会)
  • Place of Presentation: 東京大学武田先端知ビル 武田ホール(東京都）
• [Presentation] Surface as a Foundation for Materials and Process Design (2012)
  • Author(s): Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Organizer: 兵庫県立大学Cat-on-cat新規表面反応研究センターシンポジウム2012「触媒反応と表面科学的反応解析の接点を探る」
  • Place of Presentation: 兵庫県立先端科学技術支援センター（兵庫県）
  • Invited
• [Presentation] STM発光における分子およびプラズモンのダイナミクス (2012)
  • Author(s): 三輪邦之, 坂上護, 笠井秀明
  • Organizer: 表面界面スペクトロスコピー2012
  • Place of Presentation: 阪急ホテルエキスポパーク（大阪府）
• [Presentation] Theoretical modeling of catalytic reactions on direct hydrazine fuel cell (2012)
  • Author(s): Hideaki Kasai
  • Organizer: American Chemical Society Spring 2012 National Meeting & Exposition
  • Place of Presentation: San Diego, California, U.S.A.(招待講演)
• [Presentation] 固体表面近傍でのミューオンの非局在効果 (2012)
  • Author(s): 中西寛, 笠井秀明
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] 希土類系酸化物における酸素イオン伝導 (2012)
  • Author(s): 坂上護, 笠井秀明, 石原達己, 中西基浩
  • Organizer: /日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] 元素戦略プロジェクト-脱貴金属自動車触媒のデザインと実証- (2012)
  • Author(s): 岸浩史, 笠井秀明, 田中裕久, 御立千秋, 西畑保雄
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] Kondo Effect and Magnetic Frustration in a System of Magnetic Trimer on a Metal Surface (2012)
  • Author(s): Nghiem Thi Minh Hoa, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] 酸素分子共吸着銀表面上での水素分子のオルソ・パラ転換における分子拡散及び束縛回転状態の影響 (2012)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] 第一原理計算に基づくペロブスカイト型酸化物の強誘電性と構造相転移に関する研究 (2012)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学(兵庫)
• [Presentation] Electronic structure changes in the Pt/NiO/Pt capacitor-like ReRAM system: O vacancy effect (2011)
  • Author(s): Abdulla Sarhan, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Electron-Vibron Interaction Effect on Current Transport through Adsorbed Melamine on Cu(100) (2011)
  • Author(s): Abdulla Sarhan, Mamoru Sakaue, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
• [Presentation] The first principles simulation code for the muon and proton on the solid surface, in the subsurface and bulk (2011)
  • Author(s): Hiroshi Nakanishi
  • Organizer: Quantum Simulations and Design International Focus Workshop
• [Presentation] First Principles Study of the Switching Mechanism in Resistance Random Access Memory Devices (2011)
  • Author(s): Hideaki Kasai, Susan Menez Aspera, Hirofumi Kishi
  • Organizer: 2011 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD2011
  • Place of Presentation: Hotel Hankyu Expo Park, Osaka, JAPAN
• [Presentation] 計算機マテリアルズデザイン先端研究事例 (2011)
  • Author(s): 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Effect of the Electron-phonon interaction on Transport through Adsorbed Melamine Molecule on Cu Surface (2011)
  • Author(s): Abdulla Ali Abdulla Sarhan, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
• [Presentation] Nanoscale effects on oxygen ionic conduction of lanthanum gallate-based, lanthanum germanate-based and praseodymium nickelate-based solid electrolyte materials (2011)
  • Author(s): Mamoru Sakaue, Wahyu Tri Cahyanto, Triati Dewi Kencana Wungu, Susan Menez Aspera, Kuniyuki Miwa, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Adsorption process of NO molecule on noble metals : Rh, Pd, and Pt (2011)
  • Author(s): Hirofumi Kishi, Allan Abraham B.Padama, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Electronic structure changes in the Pt/NiO/Pt capacitor-like ReRAM system : O vacancy effect (2011)
  • Author(s): Abdulla Sarhan, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] First principles study of spontaneous polarization and piezoelectricity on ATiO_3 (A=Pb, Sn, Ge, Bi, Tl) (2011)
  • Author(s): Kohei Oka, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] The adsorption of water on Li-montmorillonite : A density functional theory study (2011)
  • Author(s): Triati Wungu, Febdian Rusydi, Hermawan Kresno Dipojono, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Hydrazine adsorption and reaction on metal surfaces (2011)
  • Author(s): Mohammad Kemal Agusta, Wilson Algerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Ferromagnetic nanostructures of oxygen on Ag(111) (2011)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Ab initio study on zinc-porphyrin(O_2)complex in contrast to iron-porphyrin (O_2) complex (2011)
  • Author(s): Febdian Eusydi, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Interactions of triply charged metal Cr(III), Mn(III), Fe(III), Co(III) and Ni(III) ions with water (2011)
  • Author(s): Handoko Setyo Kuncoro, Mamoru Sakaue, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Effect of Ru and Mo on PtRuMo alloy catalysts in providing more oxygenated species : ADFT study (2011)
  • Author(s): Wahyu Tri Cahyanto, Mary Clare Escano, Ryan L.Arevalo, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Effects of cluster size on Pt-O bonds formation in small platinum clusters (2011)
  • Author(s): Ferensa Oemry, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] H_2 and N_2 interaction on Pd(111) and Pd_3Ag (111) surfaces : An application to hydrogen permeable film (2011)
  • Author(s): Allan Abraham B.Padama, Yogi Wibisono Budhi, Hermawan Kresno Dipojono, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Borohydride adsorption and interaction with OH on Mn (111) (2011)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Sison Escano, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Oxygen reduction reaction on cobalt-(6)pyrrole cluster : Density functional theory study (2011)
  • Author(s): Adhitya Gandaryus Saputro, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] O_2 molecule interaction with tri-s-triazine-based graphitic carbon nitride surface : ADFT-based study (2011)
  • Author(s): Susan Menez Aspera, Hiroshi Nakanishi, Hideaki Kasai, Hiroyuki Kawai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Kondo effect in systems of magnetic trimers on a metal surface (2011)
  • Author(s): Nghiem Thi Minh Hoa, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: International Symposium on Materials Science and Innovation for Sustainable Society Eco-materials and Eco-innovation for Global Sustainability (ECO-MATES 2011)
  • Place of Presentation: Hotel Hankyu Expopark, Osaka
• [Presentation] Spin Effects on Metal Surface Reactions : O_2 on Ferromagnetic Pt (2011)
  • Author(s): Mary Clare Sison Escano, Tien Quang Nguyen, Hiroshi Nakanishi, Elod Gyenge, Hideaki Kasai
  • Organizer: AVS 58th International Symposium & Exhibition
  • Place of Presentation: Nashville, Tennessee, U.S.A.
• [Presentation] Storing Hydrogen in Graphite, Revisited (2011)
  • Author(s): Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] A DFT Study on the Adsorption of Oxygen and Hydrogen Peroxide on Fe-filled Single-walled Carbon Nanotubes (2011)
  • Author(s): Joaquin Moreno, Melanie David, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically ControUed Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Dissociative Adsorption of H_2 on Mn-modified Ni(111) Surface : A Density Functional Theory Study (2011)
  • Author(s): Allan Abraham B.Padama, Hideaki Kasai, Hiroyuki Kawai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Interaction of Borohydride with 3d Transition Metals : A DFT Study (2011)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Sison Escano, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] First Principles Calculation of the Adsorption of Water on Li-Montmoril lonite (2011)
  • Author(s): Triati Wungu, Febdian Rusydi, Hermawan Dipojono, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Oxygen Reduction Reaction Mechanism on Cobalt-(6) Pyrrole Cluster : Density Functional Theory Study (2011)
  • Author(s): Saputro Adhitya Gandaryus, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Spatial Dependence of the STS Profiles of Co-adsorbed Molecules on Metal Surfaces (2011)
  • Author(s): Kunisoiki Miwa, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Neikanoshima Centor, Osaka
• [Presentation] First Principles Comparative Study of O_2 Adsorption on Zinc-porphyrins and Iron-porphyrins (2011)
  • Author(s): Febdian Rusydi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Center, Osaka
• [Presentation] Study of NO Oxidation Reaction over Pt Cluster Supported on Y-Al_2O_3(111) Surface (2011)
  • Author(s): Hirofumi Kishi, Ferensa Oemry, Nguyen Tien Quang, Sinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Center, Osaka
• [Presentation] Magnetic Anisotropy in Co/Ni Multi-layer (2011)
  • Author(s): Kazuki Kojima, Wilson Agerico Dino, Hideaki Kasai, Takanori Koshikawa
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Oxygen Dissociation on Metal Oxide-supported Pt Cluster (2011)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] A First Principles Study of Ortho-Para H_2 Conversion on the Ag(111) Surfaces with Coadsorbed O_2 Molecules (2011)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Center, Osaka
• [Presentation] Role of Surface Distortion on Molecular Adsorption on the Tri-s-triazine-based Graphitic Carbon Nitride Surfaces : A Specific Analysis on the O_2 Molecule Interaction (2011)
  • Author(s): Susan Menez Aspera, Hideaki Kasai, Hiroyuki Kawai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Tuning Magnetic Interactions in Systems of Dimers and Trimers on a Metal Surface (2011)
  • Author(s): Nghiem Hoa Thi Minh, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] First Principles Study of Spontaneous Polarization and Piezoelectricity on ATiO_3 (A=Pb, Sn, Ge, Bi, Tl) (2011)
  • Author(s): Kohei Oka, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] A DFT Study of OOH Dissociation on Platinum Alloy Catalysts (2011)
  • Author(s): Wahyu Tri Cahyanto, Mary Clare Sison Escano, Ryan Lacdao Arevalo, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Electron-Vibron Interaction Effect on Current Transport through Adsorbed Melamine on Cu(100) (2011)
  • Author(s): AbduUa Sarhan, Mamoru Sakaue, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Effects of Cluster Size on Pt-O Bonds Formation in Small Platinum Clusters (2011)
  • Author(s): Ferensa Oemry, Hirofumi Kishi, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Center, Osaka
• [Presentation] Theoretical Study of Hydrazine Adsorption on Metal Surfaces (2011)
  • Author(s): Mohammad Kemal Agusta, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Fourth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Me-N-C ORR electrocatalysts for liquid-feed fuel cells using an anion-exchange membrane (2011)
  • Author(s): Koichiro Asazawa, Hirohisa Tanaka, Daiju Matsumura, Kazuhisa Tamura, Yasuo Nishihata, Hideaki Kasai, Plamen Atanassov
  • Organizer: The 62nd Annual Meeting of the International Society of Electrochemistry
  • Place of Presentation: Toki Messe, Niigata, JAPAN
• [Presentation] The Study of NOx Reduction on Different Transition Metals : Cu, Ni, Co and Fe (2011)
  • Author(s): Hideaki Kasai, Allan Abraham B.Padama, Hirofumi Kishi, Masashi Taniguchi, Mari Uenishi, Hirohisa Tanaka, Daiju Matsumura, Yasuo Nishihata
  • Organizer: EuropaCat X
  • Place of Presentation: Glasgow, Scotland
• [Presentation] Storing hydrogen in graphite : Revisited (2011)
  • Author(s): Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 28th European Conference on Surface Science, ECOSS28
  • Place of Presentation: Wroclaw, Poland
• [Presentation] A possible transition in systems of magnetic trimers on aa metal surface (2011)
  • Author(s): Nghiem Thi Minh Hoa, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 28th European Conference on Surface Science, ECOSS28
  • Place of Presentation: Wroclaw, Poland
• [Presentation] Magnetic Ordered States Induced by O_2 Adsorption on Ag(111) (2011)
  • Author(s): Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 28th European Conference on Surface Science, ECOSS28
  • Place of Presentation: Wroclaw, Poland
• [Presentation] Ag(111)表面上の水素分子のオルソ・パラ転換におけるファン・デル・ワールス力の影響 (2011)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 第52回真空に関する連合講演会
  • Place of Presentation: 学習院大学(東京)
• [Presentation] 第一原理計算を用いたペロブスカイト型酸化物の自発分極に関する理論的研究 (2011)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 第52回真空に関する連合講演会
  • Place of Presentation: 学習院大学(東京)
• [Presentation] 水素アトミクスの理論研究とその展望 (2011)
  • Author(s): 笠井秀明
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)(招待講演)
• [Presentation] ミュオンがみる固体表面・サブ表面 (2011)
  • Author(s): 中西寛
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)(招待講演)
• [Presentation] 金属表面近傍での水素・ミューオンの量子状態 (2011)
  • Author(s): 中西寛, 笠井秀明
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] A Possible Transition in Systems of Magnetic Trimers on a Metal Surface (2011)
  • Author(s): Nghiem Thi Minh Hoa, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] Interaction of Trivalent Transition Metal Ions (Cr, Mn, Fe, Co, Ni) with Water Molecules (2011)
  • Author(s): Handoko Setyo Kuncoro, Mamoru Sakaue, Hideaki Kasai
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] First Principles Calculations of the Adsorption of Water on Li-Montm orillonite (2011)
  • Author(s): Triati Dewi Kencana Wungu, Febdian Rusydi, Hermawan Kresno Dipojono, Hideaki Kasai
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] 銀表面上へ吸着した酸素の準安定強磁性状態 (2011)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] 金属表面上の分子の振動運動における電子相関効果 (2011)
  • Author(s): 三輪邦之, 笠井秀明
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] ペロブスカイト型酸化物の構造相転移と自発分極に関する第一原理的研究 (2011)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 日本物理学会2011年秋季大会
  • Place of Presentation: 富山大学(富山)
• [Presentation] NO_x還元触媒表面におけるNO分子のダイナミクスに関する研究 (2011)
  • Author(s): 岸浩史, Allan Padama, 中西寛, 笠井秀明
  • Organizer: 第72回応用物理学会学術講演会
  • Place of Presentation: 山形大学(山形)
• [Presentation] 計算機マテリアルズデザイン先端研究事例 (2011)
  • Author(s): 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)(招待講演)
• [Presentation] NO_x還元触媒表面におけるNO分子のダイナミクスに関する研究 (2011)
  • Author(s): 岸浩史, Allan Abraham Bustria Padama, 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Atomic composition of PtRuMo Alloy Catalysts on CO oxidation of Anodic DMFCs (2011)
  • Author(s): Wahyu Tri Cahyanto, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Mechanism of hydrazine adsorption on metal surfaces (2011)
  • Author(s): Mohammad Kemal Agusta, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] BOMD study on Structure of Small Water Clusters near 353.15K (2011)
  • Author(s): Handoko Setyo Kuncoro, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Kondo effect in the systems of magnetic trimers on a metal surface (2011)
  • Author(s): Nghiem Hoa Thi Minh, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Molecular and Electronic Tuning of Si/CNT Hybrid System (2011)
  • Author(s): Mary Clare Sison Escano, Tien Quang Nguyen, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] 銀表面上での水素分子の核スピン転換における共吸着酸素分子の影響 (2011)
  • Author(s): 國貞雄治, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Study of Adsorbed Water on Li-Montmorillonite (2011)
  • Author(s): Wungu Triati Dewi Kencana, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Oxygen dissociative adsorption on Pt_4/CeO_2(111) surface (2011)
  • Author(s): Nguyen Tien Quang, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Role of Surface Distortion on Molecular Adsorption on the Tri-s-triazine-based Graphitic Carbon Nitride Surface : A Specific Analysis on O_2 Molecule Interaction (2011)
  • Author(s): Aspera Susan Menez, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai, Hiroyuki Kawai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] The first result on the properties of ground state porphyrin (the study of photosensitizing process in photodynamic therapy) (2011)
  • Author(s): Febdian Rusydi, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] 金属表面上の磁性原子吸着系におけるスペクトル関数に対する磁気異方性の影響 (2011)
  • Author(s): 小島一希, Wilson Agerico Dino, 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] 金属表面に吸着している磁性原子の超格子における電子状態密度 (2011)
  • Author(s): 三輪邦之, 松中大介, 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] H_2O_2 dissociation on Co-(6)Ppy Clusters (2011)
  • Author(s): Saputro Adhitya Gandaryus, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] First Principles Investigation of H_2 Dissociative Adsorption on Mn-modified Ni(111) Surface (2011)
  • Author(s): Allan Abraham Bustria Padama, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] ペロブスカイト型酸化物の自発分極と圧電性に関する第一原理的研究 (2011)
  • Author(s): 岡耕平, 中西寛, 笠井秀明
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Selective oxidation of semiconducting Fe-filled SWNT (2011)
  • Author(s): Moreno Joaquin Lorenzo Valmoria, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Adsorption and dehydrogenation of borohydride on Mn(111) (2011)
  • Author(s): Ryan Lacdao Arevalo, Mary Clare Sison Escano, Hideaki Kasai
  • Organizer: 第1回マルチスケールマテリアルモデリングシンポジウム(第16回分子動力学シンポジウム)
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] Au(111)表面上の鉄フタロシアニン分子に対する第一原理電子状態計算 (2011)
  • Author(s): 南谷英美, Abdulla Ali Abdulla Sarhan, 松中大介, Wilson Agerico Dino, 中西寛, 笠井秀明, 高木紀明
  • Organizer: 日本物理学会第66回年次大会
  • Place of Presentation: 新潟大学(新潟)
• [Presentation] グラフェン表面近傍におけるキャパシタ用電解質の挙動解析 (2011)
  • Author(s): 笠井秀明, 谷正則, 国方伸一, 中西寛
  • Organizer: 2011年春季 第58回応用物理学関係連合講演会
  • Place of Presentation: 神奈川工科大学(神奈川)
• [Presentation] Modeling of Electron Transport through Adsorbed Melamine Molecule on Cu(100) Surface (2010)
  • Author(s): Abdulla Sarhan, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: The 27th European Conference on Surface Science
  • Place of Presentation: Groningen, the Kingdom of the Netherlands
• [Presentation] Computational Materials Design of Molecular Bridge Systems for Potential Applications as Nano-Electronics Devices (2010)
  • Author(s): Hiroshi Nakanishi
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials (Global COE Program) & Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR
  • Place of Presentation: Osaka, Japan
• [Presentation] A Theoretical Study on the Reaction of Hydrogen Peroxide with Fe-filled Single-walled Carbon (2010)
  • Author(s): Joaquin Moreno, Melanie David, Tanglaw Roman, Hideaki Kasai
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials (Global COE Program) & Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR
  • Place of Presentation: Osaka, Japan
• [Presentation] 磁性制御による表面反応デザインと量子ダイナミクス (2010)
  • Author(s): 中西寛
  • Organizer: 山田科学振興財団 新規プログラム(若手研究者の分野交錯研究推進プログラム)研究会「ナノスケールの原子構造および電子状態とその変化の理論的設計」
  • Place of Presentation: 国際高等研究所、日本
• [Presentation] Feポルフィリン分子と金属電極表面との接合界面構造 (2010)
  • Author(s): 中西寛,笠井秀明
  • Organizer: 日本物理学会2010年秋季大会会
  • Place of Presentation: 大阪府立大学(大阪)
• [Presentation] Density functional theory study of hydrogen peroxide adsorption on pristine and Fe-filled single-walled carbon nanotubes (2010)
  • Author(s): Joaquin Moreno, Melanie David, Tanglaw Roman, Hideaki Kasai
  • Organizer: The 37th International Symposium on Compound Semiconductors (ISCS 2010)
  • Place of Presentation: Takamatsu, Japan
• [Presentation] Computational Materials Design of Molecular Bridge Systems for Potential Applications as Nano-Electronics Devices (2010)
  • Author(s): Hiroshi Nakanishi
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials (Global COE Program) & Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR
  • Place of Presentation: Osaka, Japan[invited]
• [Presentation] Adsorption of O_2 on Fe-(n)pyrrole Molecules from First-Principles Calculations (2010)
  • Author(s): Hanifadinna, Hermawan K.Dipojono, Adhitya G.Saputro, Hideaki Kasai
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials (Global COE Program) & Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR
  • Place of Presentation: Osaka, Japan
• [Presentation] A First Principle Calculation of Oxygen Reduction on Co-(n)Pyrrole Molecules (2010)
  • Author(s): Adhitya Gandaryus Saputro, Susan Menez Aspera, Hermawan Kresno Dipojono, Hideaki Kasai
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials (Global COE Program) & Third International Conference on Nanospintronics Design and Realization, 3rd-ICNDR
  • Place of Presentation: Osaka, Japan
• [Presentation] 磁性制御による表面反応デザインと量子ダイナミクス (2010)
  • Author(s): 中西寛
  • Organizer: 山田科学振興財団 新規プログラム(若手研究者の分野交錯研究推進プログラム)研究会「ナノスケールの原子構造および電子状態とその変化の理論的設計」
  • Place of Presentation: 国際高等研究所、日本[招待]
• [Presentation] 担体効果の影響を受けたPt原子およびPt4クラスタ上におけるO2解離吸着特性 (2010)
  • Author(s): Ferensa Oemry, 中西寛, 笠井秀明
  • Organizer: 第51回真空に関する連合講演会
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] グラフェン表面におけるイオン液体カチオン分子吸着に関する理論的研究 (2010)
  • Author(s): 谷正則, 坂上護, 中西寛, 笠井秀明
  • Organizer: 第51回真空に関する連合講演会
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] DFT Study on the Interaction of O_2 Molecule with Co-(6)Ppy Clusters (2010)
  • Author(s): Saputro Adhitya Gandazyus, Dipojono Hermawan Kresno, Aspera Susan Menez, 笠井秀明
  • Organizer: 第51回真空に関する連合講演会
  • Place of Presentation: 大阪大学(大阪)
• [Presentation] グラフェン表面上のC_7H_<12>ON^+カチオン分子吸着に関する理論的研究 (2010)
  • Author(s): 谷正則, 坂上護, 中西寛, 笠井秀明, 上谷昌稔, 岡昭範
  • Organizer: 日本物理学会2010年秋季大会会
  • Place of Presentation: 大阪府立大学(大阪)
• [Presentation] First Principle Calculation of C_7H_<12>ON^+ Cation Adsorption on Graphene (2010)
  • Author(s): Masanori Tani, Mamoru Sakaue, Hiroshi Nakanishi, Wison Agerico Dino, Hideaki Kasai
  • Organizer: Third International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka University Nakanoshima Centor, Osaka
• [Presentation] Lithium diffusion in Si on SWCNT (2010)
  • Author(s): Mary Clare Sison Escano, Wilson Agerico Dino, Hideaki Kasai
  • Organizer: 15th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University, Philippines
• [Presentation] First Principles Study of O_2 Adsorption and Dissociation on Graphitic Carbon Nitride (g-C_3N_4) (2010)
  • Author(s): Susan Aspera, Hiroshi Nakanishi, Hideaki Kasai, Hiroyuki Kawai
  • Organizer: 15th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University, Philippines
• [Presentation] Selective oxidation of Fe-filled single-walled carbon nanotubes by hydrogen peroxide (2010)
  • Author(s): Joaquin Moreno, Melanie Y.David, Hideaki Kasai
  • Organizer: 15th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University, Philippines
• [Book] 未来を拓く元素戦略 持続可能な社会を実現する化学 (2013)
  • Author(s): 岸浩史, 國貞雄治, 笠井秀明
  • Total Pages: 202
  • Publisher: 化学同人
• [Book] 未来を拓く元素戦略 持続可能な社会を実現する化学 (2013)
  • Author(s): 岸浩史, 國貞雄治, 笠井秀明
  • Total Pages: 202
  • Publisher: 化学同人
• [Book] 抵抗変化メモリの知的材料設計 (2012)
  • Author(s): 笠井秀明, 岸浩史
  • Total Pages: 74
  • Publisher: 大阪大学出版会
• [Book] 抵抗変化メモリの知的材料設計 (2012)
  • Author(s): 笠井秀明, 岸浩史
  • Total Pages: 74
  • Publisher: 大阪大学出版会
• [Book] 密度汎関数法の発展 マテリアルデザインへの応用 (2011)
  • Author(s): 笠井秀明、坂上護
  • Publisher: シュプリンガー・ジャパン
• [Book] 「密度汎関数法の発展マテリアルデザインへの応用」第III部応用編第6章表面反応,ナノ構造の制御 (2011)
  • Author(s): 笠井秀明、坂上護
  • Publisher: シュプリンガー・ジャパン
• [Remarks] Kasai Laboratory
  • URL: http://www.dyn.ap.eng.osaka-u.ac.jp/web/publications.html
• [Remarks] Kasai Laboratory
  • URL: http://www.dyn.ap.eng.osaka-u.ac.jp/web/publications.html
• [Patent(Industrial Property Rights)] 物質中の原子・分子の量子状態推定方法 (2012)
  • Inventor(s): 笠井秀明, 中西寛
  • Industrial Property Rights Holder: 国立大学法人大阪大学
  • Industrial Property Number: 2012-016133
  • Filing Date: 2012-01-30
• [Patent(Industrial Property Rights)] 不揮発性メモリセル、これを備える不揮発性メモリ装置および遷移金属酸化物の選定方法 (2012)
  • Inventor(s): 笠井秀明,中西寛,岸浩史
  • Industrial Property Rights Holder: 国立大学法人大阪大学
  • Industrial Property Number: 2012-008516
  • Filing Date: 2012-01-18
• [Patent(Industrial Property Rights)] 不揮発性メモリセル、これを備える不揮発性メモリ装置および遷移金属酸化物の選定方法 (2012)
  • Inventor(s): 笠井秀明, 中西寛, 岸浩史
  • Industrial Property Rights Holder: 国立大学法人大阪大学
  • Industrial Property Number: 2012-008516
  • Filing Date: 2012-01-18
• [Patent(Industrial Property Rights)] 窒素酸化物浄化触媒 (2011)
  • Inventor(s): 笠井秀明,中西寛,岸浩史
  • Industrial Property Rights Holder: 国立大学法人大阪大学
  • Industrial Property Number: 2011-160286
  • Filing Date: 2011-07-21
• [Patent(Industrial Property Rights)] 窒素酸化物浄化触媒 (2011)
  • Inventor(s): 笠井秀明, 中西寛, 岸浩史
  • Industrial Property Rights Holder: 国立大学法人大阪大学
  • Industrial Property Number: 2011-160286
  • Filing Date: 2011-07-21