Development and applications of dynamic quantum reaction design methods by magnetic control

• Project/Area Number: 17064011
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Osaka University
• Principal Investigator: KASAI Hideaki Osaka University, 大学院工学研究科, 教授 (00177354)
• Co-Investigator(Kenkyū-buntansha): NAKANISHI Hiroshi 大阪大学, 大学院・工学研究科, 助教 (40237326) ; DINO Wilson 大阪大学, 大学院・理学研究科, 講師 (60379146) ; 松本 茂野 大阪大学, 大学院工学研究科, 特任研究員 (80432516) ; 渡辺 晋 大阪大学, 大学院・工学研究科, 博士研究員 (80397786)
• Project Period (FY): 2005 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥38,900,000 (Direct Cost: ¥38,900,000); Fiscal Year 2008: ¥7,300,000 (Direct Cost: ¥7,300,000); Fiscal Year 2007: ¥11,500,000 (Direct Cost: ¥11,500,000); Fiscal Year 2006: ¥11,500,000 (Direct Cost: ¥11,500,000); Fiscal Year 2005: ¥8,600,000 (Direct Cost: ¥8,600,000)
• Keywords: 反応デザイン / 磁性 / 量子ダイナミクス / 第一原理計算 / 量子シミュレータ

Research Abstract

第一原理計算を用いた物性研究は、ある種の物質については、実験をする前にその物の性質(物性)を予見することが可能となってきた。その次に目指すものは、望む性質をもつ物質のデザインである。物の性質を変化させるにはその物質の電子状態を改変しなければならない。本研究はそのデザイン自由度として磁性状態を利用しようとするものである。磁性を制御するための人工ナノ構造のデザイン、およびデザインした人工ナノ構造により新たに付与される化学反応における量子ダイナミクスの効果についての研究をおこなった。

Research Products

• [Journal Article] Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes : a theoretical study (2009)
  • Author(s): Joaquin Mofeno, Koichiro Kasai, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Physics : Condensed Matter 21 Pages: 64219-64219
  • Peer Reviewed
• [Journal Article] STM-induced switching of the hydrogen molecule in naphthalocyanine (2009)
  • Author(s): Abdulla Sarhan, Nelson B Arboleda Jr, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Physics : Condensed Matter 77 Pages: 64201-64201
  • Peer Reviewed
• [Journal Article] Pt monolayer on Fe(001) as an alternative cathode catalyst : a firstprinciples study (2008)
  • Author(s): Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Surface and Interface Analysis 40 Pages: 1085-1087
  • Peer Reviewed
• [Journal Article] Pt monolayer on Fe(001)as an alternative cathode catalyst : a first principles study (2008)
  • Author(s): Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Surface and Interface Analysis 40 Pages: 1085-1087
  • Peer Reviewed
• [Journal Article] Effect of change in number of conduction electrons on the spin configu ration in transition metal oxides (2008)
  • Author(s): Emi Minamitani, Robert Roleda, Wilson Agerico Dino, Tomoya Kishi, Hiroshi Nakanishi and Hideaki Kasai
  • Journal Title: Surface and Interface Analysis 40 Pages: 1078-1081
  • Peer Reviewed
• [Journal Article] Adsorption of diatomic molecules on iron tape-porphyrin : A comparative study (2008)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Nobuaki Shimoji, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Physical Review B 77 Pages: 195307-195307
  • Peer Reviewed
• [Journal Article] DFT study on the adsorption of NO on iron tape-porphyrin (2008)
  • Author(s): Tien Quang Nguyen, Mary Clare Sison Escano, Nobuaki Shimoji, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Surface and Interface Analysis 40 Pages: 1082-1082
  • Peer Reviewed
• [Journal Article] Mounting a Hydrogenase Analogue on Calixarenes--Designing a Nature-Inspired Solid State Catalyst for Fuel Cells by Density Functional Theory (2008)
  • Author(s): Eben Sy Dy, Hideaki Kasai, Carl Redshaw
  • Journal Title: Surface and Interface Analysis 40 Pages: 1092-1097
  • Peer Reviewed
• [Journal Article] First principles calculations-based model for the reactive ion etching of metal oxide surfaces (2008)
  • Author(s): Melanie David, Rilki Muhida, Tanglaw Roman, Hiroshi Nakanishi, Wilson Dino, Hideaki Kasai, Fumiyoshi Takano, Hisashi Shim, Hiro Akinaga
  • Journal Title: VACUUM 83 Pages: 599-601
  • Peer Reviewed
• [Journal Article] Electronic Structure of LiSi (2008)
  • Author(s): Yoshiyuki Kubota, Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Alloys and Compounds 458 Pages: 151-157
  • NAID: 120005568359
  • Peer Reviewed
• [Journal Article] Quantum states of a hydrogen atom motion on the Pd(111) surface and in the subsurface (2007)
  • Author(s): Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki K asai
  • Journal Title: Journal of Physics : Condensed Matter 19/48 Pages: 365214-365214
  • Peer Reviewed
• [Journal Article] Pt monolayer on Fe(001) cathode catalyst for O_2 reduction: a first principles study (2007)
  • Author(s): Mary Clare Sison Escano, Tomoya Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 5 Pages: 117-121
  • Peer Reviewed
• [Journal Article] Potential energy of H_2 dissociation and sticking on Pt(111) surface : a first principles calculation (2007)
  • Author(s): Nelson B. Arboleda Jr., Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Journal Title: Japanese Journal of Applied Physics 46/7A Pages: 4233-4233
  • Peer Reviewed
• [Journal Article] Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface- A first principles calculation (2007)
  • Author(s): Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of Applied Physics 101/12 Pages: 123530-123535
  • Peer Reviewed
• [Journal Article] A comparative study on the interaction between tin(II) porphyrin and selected group 8B metals for potential application as reduction catalysts (2007)
  • Author(s): Eben Sy Dy, Hideaki Kasai
  • Journal Title: The European Physical Journal D 41/2 Pages: 241-245
  • Peer Reviewed
• [Journal Article] Quantum states of a hydrogen atom adsorbed on Cu(100) and (110) surfaces (2007)
  • Author(s): Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Physical Review B 75/11 Pages: 115421-115421
  • Peer Reviewed
• [Journal Article] A Density Functional Analysis on the Photoelectronic Spectra of Fe-Only Hydrogenase Analogues (2007)
  • Author(s): Eben, Sy Dy・Hideaki, Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 5 Pages: 148-151
  • NAID: 130004933968
  • Peer Reviewed
• [Journal Article] Exploring heme-based alternatives for oxygen reduction catalysis in fuel cells-a status report of our first principle calculations (2007)
  • Author(s): Eben, Sy Dy・Tanglaw, A Roman・Yoshiyuki, Kubota・Keita, Miyamoto・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 445010-445021
  • Peer Reviewed
• [Journal Article] Pathways for SO2 dissociation on Cu(100): density functional theory (2007)
  • Author(s): Romel, Mozo・Mohammad, Kemal・Agusta, Md.Mahmudur Rahman・Wilson A., Dino・Emmanuel T., Rodulfo・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 365244-365255
  • Peer Reviewed
• [Journal Article] Quantum states of hydrogen atom motion on the Pd(111) surface and in the subsurface (2007)
  • Author(s): Nobuki, Ozawa・Tanglaw, Roman・Nelson Buntimil, Arboleda Jr.・Wilson, Agerico Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 365214-365224
  • Peer Reviewed
• [Journal Article] First-principles investigation on the atomic structure and stability of a Pt monolayer on Fe(001) (2007)
  • Author(s): Mary Clare, Sison Escano・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 482002-482008
  • Peer Reviewed
• [Journal Article] Imidazole ligand effect on O_2 interaction with metalloporphyrins (2007)
  • Author(s): Muneyuki, Tsuda・Hideaki, Kasai
  • Journal Title: Surface Science 601 Pages: 5200-5206
  • Peer Reviewed
• [Journal Article] A nanoscale understanding of the adhesion of polybutylene terephthalate on aluminum (2007)
  • Author(s): Melanie, Davida・Tanglaw, Romana・Wilson, Agerico, Dino・Hiroshi, Nakanishia・Hideaki, Kasaia・Naoki, Andoc・Masanori, Naritomie
  • Journal Title: Surface Science 601 Pages: 5241-5245
  • Peer Reviewed
• [Journal Article] Magnetic and electronic properties of Fe-filled single-walled carbon nanotubes on metal surfaces (2007)
  • Author(s): Melanie, David・Tomoya, Kishi・Masanori, Kisaku・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Surface Science 601 Pages: 4366-4369
  • Peer Reviewed
• [Journal Article] Applying computational nanomaterials design to the reactive ion etching of NiO thin films-a preliminary investigation (2007)
  • Author(s): Melanie, David・Rifki, Muhida・Tanglaw, Roman・Shinichi, Kunikata・Wilson A.T., Dino・Hiroshi, Nakanishi・Hideaki, Kasai・Fumiyoshi, Takano・Hisashi, Shima・Hiro, Akinaga
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 365210-365216
  • Peer Reviewed
• [Journal Article] Pt Monolayer on Fe(001) Catalyst for O2 Reduction: A First Principles Study (2007)
  • Author(s): Mary Clare, Sison Escano・Tomoya, Kishi・Shinichi, Kunikata・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 5 Pages: 117-121
  • NAID: 130004439070
  • Peer Reviewed
• [Journal Article] Potential Energy of H2 Dissociation and Adsorption on Pt(111) Surface: First-Principles Calculation (2007)
  • Author(s): Nelson B., Arboleda Jr.・Hideaki, Kasai・Wilson Agerico, Dino・Hiroshi, Nakanishi
  • Journal Title: Japanese Journal of Applied Physics 46 Pages: 4233-4237
  • NAID: 40015465535
  • Peer Reviewed
• [Journal Article] A comparative study of the interaction of platinum with group 4A(germanium,tin and lead) porphyrins (2007)
  • Author(s): Eben, Sy Dy・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 365240-365245
  • Peer Reviewed
• [Journal Article] CO adsorption effects on the electronic properties of Fe tape-porphyrin (2007)
  • Author(s): Hiroshi, Nakanishi・Keita, Miyamoto・Melanie, David・Eben, Sy Dy・Reiko, Tanaka・Hideaki, Kasai
  • Journal Title: Journal of Physics: Condensed Matter 19 Pages: 365234-365239
  • Peer Reviewed
• [Journal Article] Crystal and electronic structure of Li15Si4 (2007)
  • Author(s): Yoshiyuki, Kubota・Mary Clare, Sison Escano・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Journal of Applied Physics 102
  • NAID: 120005568358
  • Peer Reviewed
• [Journal Article] Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface-A first principles calculation (2007)
  • Author(s): Nobuki, Ozawa・Tanglaw, Roman・Nelson Buntimil, Arboleda Jr.・Wilson, Agerico Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Journal of Applied Physics 101
  • Peer Reviewed
• [Journal Article] A study on the stability of O_2 on oxometalloporphyrins by the first principles calculations (2007)
  • Author(s): Yoshiyuki, Kubota・Mary Clare, Sison Escano・Eben, Sy Dy・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: The Journal of Chemical Physics 126
  • Peer Reviewed
• [Journal Article] Influence of spin configuration on the transport properties of transition metal oxide nanostructures (2007)
  • Author(s): Emi, Minamitani・Melanie, David・Hiroshi, Nakanishi・Wilson, Agerico Dino・Hideaki, Kasai
  • Journal Title: Solid State Communications 142 Pages: 104-109
  • Peer Reviewed
• [Journal Article] Adsorption of Fe and Co Nanowires to (3,3) Single-Walled Carbon Nanotubes (2007)
  • Author(s): Tomoya, Kishi・Melanie, David・Wilson, Agerico Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Journal Title: Japanese Journal of Applied Physics 46 Pages: 1788-1791
  • NAID: 10018901774
  • Peer Reviewed
• [Journal Article] Carbon Nanoarch Encapsulating Fe Nanowire on Ni(111) (2006)
  • Author(s): M.David, T.Kishi, M.Kisaku, H.Nakanishi, H.Kasai
  • Journal Title: Japanese Journal of Applied Physics 45・4A Pages: 2869-2871
  • NAID: 40007227527
• [Journal Article] Initial driving force for proton transfer in Nafion (2006)
  • Author(s): M.Tsuda, N.B.Arboleda Jr., H.Kasai
  • Journal Title: Chemical Physics 324・2-3 Pages: 393-397
• [Journal Article] Solvent Effects on Anionic and Acid Forms of Nafion Side Chain (2006)
  • Author(s): M.Tsuda, H.Kasai
  • Journal Title: Japanese Journal of Applied Physics 45・6A Pages: 5121-5125
  • NAID: 10018148872
• [Journal Article] Ab initio study of alloying and straining effects on CO interaction with Pt (2006)
  • Author(s): M.Tsuda, H.Kasai
  • Journal Title: Physical Review B 73・15 Pages: 155405-155405
• [Journal Article] Amino acid adsorption on single-walled carbon nanotubes (2006)
  • Author(s): T.Roman, W.A.Dino, H.Nakanishi, H.Kasai
  • Journal Title: European Physical Journal D 38・1 Pages: 117-120
• [Journal Article] Side-on 02 interaction with heme-based nanomaterials (2006)
  • Author(s): M.Tsuda, E.S.Dy, H.Kasai
  • Journal Title: European Physical Journal D 38・1 Pages: 139-141
• [Journal Article] Ab initio study for structure, electric properties and light emission of linear-trans-quinacridones (2006)
  • Author(s): A.Susanto, R.Mozo, R.Muhida, T.Kishi, Md.M.Rahman, W.A.Dino, H.K.Dipojono, H.Kasai
  • Journal Title: European Physical Journal D 38・1 Pages: 199-201
• [Journal Article] A theoretical analysis on the interaction between tin(II) porphyrin and platinum and the electronic characteristics of their reaction product (2006)
  • Author(s): E.S.Dy, H.Kasai
  • Journal Title: Chemical Physics Letters 422・4-6 Pages: 539-542
• [Journal Article] Mg-H dissociation of magnesium hydride MgH2 catalyzed by 3d transition metals (2006)
  • Author(s): M.Tsuda, W.A.Dino, H.Kasai, H.Nakanishi, H.Aikawa
  • Journal Title: Thin Solid Films 509・1-2 Pages: 157-159
• [Journal Article] Temperature an magnetic field dependence of the Yosida-Kondo resonance for a single magnetic atom adsorbed on a surface (2006)
  • Author(s): W.A.Dino, H.Kasai, E.T.Rodulfo, M.Nishi
  • Journal Title: Thin Solid Films 509・1-2 Pages: 168-172
• [Journal Article] Characterization of the Im-(Im) PorFe bond by Density Functional Theory (2006)
  • Author(s): E.S.Dy, H.Kasai
  • Journal Title: Thin Solid Films 509・1-2 Pages: 212-214
• [Journal Article] A Density Functional Theory-Based Investigation of Adhesion of Polybutylene Terephthalate on Aluminum (2006)
  • Author(s): M.David, T.Roman, H.Nakanishi, H.Kasai, N.Ando, M.Naritomi
  • Journal Title: Thin Solid Films 509・1-2 Pages: 215-217
• [Journal Article] Glycine adsorption on single-walled carbon nanotubes (2006)
  • Author(s): T.Roman, W.A.Dino, H.Nakanishi, H.Kasai
  • Journal Title: Thin Solid Films 509・1-2 Pages: 218-222
• [Journal Article] Quantum dynamics study on the interaction of H_2 on a Pt (111) surface (2006)
  • Author(s): N.B.Arboleda Jr., H.Kasai, W.A.Dino, H.Nakanishi
  • Journal Title: Thin Solid Films 509・1-2 Pages: 227-229
• [Journal Article] Polybutylene Terephthalate on Metals : A Density Functional Theory and Cluster Models Investigation (2006)
  • Author(s): M.David, T.Roman, W.A.Dino, H.Nakanishi, H.Kasai, N.Ando, M.Naritomi
  • Journal Title: Journal of Physics : Condensed Matter 18・4 Pages: 1137-1142
• [Journal Article] First principles study of-electric an magnetic properties of benzene-iron multiple-decked sandwich chain (2006)
  • Author(s): M.Md.Rahman, R.Muhida, E.S.Dy, R.Mozo, H.Kasai
  • Journal Title: Journal of the Physical Society of Japan 75・11
  • NAID: 110004852778
• [Journal Article] Behavior of hydrogen atom at Nafion-Pt interface (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Solid State Communications 134 Pages: 601-605
• [Journal Article] Magnetized/charged MgH_2-based hydrogen storage materials (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hideaki Kasai, Hiroshi Nakanishi
  • Journal Title: Applied Physics Letters 86 Pages: 213109-213109
• [Journal Article] Characterization of platinum porphyrins and its interaction with oxygen by density functional theory (2005)
  • Author(s): Eben S.Dy, Hideaki Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 3 Pages: 473-475
  • NAID: 130004933900
• [Journal Article] Hydrogen-induced lattice relaxation effects on the absorption and desorption of H on a Li(100) surface (2005)
  • Author(s): Nelson B.Arboleda Jr., Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Journal Title: Journal of the Vacuum Society of Japan 48 Pages: 390-393
  • NAID: 10016467226
• [Journal Article] Theoretical investigation of electric and magnetic properties of benzene-vanadium sandwich complex chain (2005)
  • Author(s): M.M.Rahman, H.Kasai, E.S.Dy
  • Journal Title: Japanese Journal of Applied Physics 44 Pages: 7954-7956
  • NAID: 10016871115
• [Journal Article] First principles studies for the interaction of hydrogen with a Li(100) surface (2005)
  • Author(s): Nelson B.Arboleda Jr., Kunihiro Nobuhara, Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Journal Title: Journal of the Physical Society of Japan 74・1 Pages: 478-482
• [Journal Article] Electric and magnetic properties of Co-filled carbon nanotube (2005)
  • Author(s): Md.Mahmudur Rahman, Masanori Kisaku, Tomoya Kishi, Tanglaw Abat Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Journal of the Physical Society of Japan 74・2 Pages: 742-745
  • NAID: 210000105881
• [Journal Article] Ground state magnetic properties of Fe nanoislands on Cu(111) (2005)
  • Author(s): Tomoya Kishi, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai, Fumio Komori
  • Journal Title: Journal of the Physical Society of Japan 74・11 Pages: 3057-3059
  • NAID: 210000105749
• [Journal Article] Trapping hydrogen with a bimetallic interface (2005)
  • Author(s): Michio Okada, Kousuke Moritani, Toshio Kasai, Wilson Agerico Dino, Hideaki Kasai, Shouhei Ogura, Markus Wilde, Katsuyuki Fukutani
  • Journal Title: Physical Review B 71 Pages: 33408-33408
• [Journal Article] Dependence of oxygen dissociative adsorption on platinum surface structures (2005)
  • Author(s): Satoshi Yotsuhashi, Yuka Yamada, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Physical Review B 72 Pages: 33415-33415
• [Journal Article] Bis(histidine)/bis(imidazole) heme complex -polymer electrolyte fuel cell application as an alternative cathode electrode catalyst- (2005)
  • Author(s): Eben Sy Dy, Wilson Agerico Dino, Muneyuki Tsuda, Hideaki Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 3 Pages: 233-236
  • NAID: 130004438948
• [Journal Article] Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111) (2005)
  • Author(s): Melanie David, Tomoya Kishi, Masanori Kisaku, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 3 Pages: 266-269
  • NAID: 130004438953
• [Journal Article] Comparative study of O_2 dissociation on various metalloporphyrins (2005)
  • Author(s): Muneyuki Tsuda, Eben Sy Dy, Hideaki Kasai
  • Journal Title: The Journal of Chemical Physics 122・22 Pages: 244719-244719
• [Journal Article] Hydrogenase-based nanomaterials as anode electrode catalyst in polymer electrolyte fuel cells (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Solid State Communications 133・9 Pages: 589-591
• [Journal Article] Effects of oxygen vacancies in high-temperature cuprate superconductors (2005)
  • Author(s): Daisuke Matsunaka, Emmanuel T.Rodulfo, Hideaki Kasai
  • Journal Title: Solid State Communications 134・5 Pages: 355-360
• [Journal Article] Transport properties via surface localized states of Ru, Rh and Pd thin films on Ag(111) (2005)
  • Author(s): Tomoya Kishi, Hideaki Kasai, Hiroshi Nakanishi, Melanie David, Wilson Agerico Dino, Fumio Komori
  • Journal Title: Solid State Communications 135・11-12 Pages: 698-702
• [Journal Article] First principles interpretation of cyclohexane dehydrogenation process using Pt (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hiroshi Nakanishi, Susumu Watanabe, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics 44・1A Pages: 402-405
  • NAID: 10014322885
• [Journal Article] Site-dependent vibrationally assisted sticking effect on H_2-Si(001) 2x2 surface interactions (2005)
  • Author(s): Nelson B.Arboleda Jr., Hideaki Kasai, Wilson Agerico Dino, Hiroshi Nakanishi
  • Journal Title: Japanese Journal of Applied Physics. 44・2 Pages: 797-801
• [Journal Article] Diameter dependent magnetic and electronic properties of single-walled carbon nanotubes with Fe nanowires (2005)
  • Author(s): Masanori Kisaku, Md.Mahmudur Rahman, Tomoya Kishi, Daisuke Matsunaka, Tanglaw Abat Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics 44・2 Pages: 882-888
  • NAID: 210000059226
• [Journal Article] Reactive ion etching of NiFe thin films from first-principles study : A case study (2005)
  • Author(s): Susumu Watanabe, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai, Hiroyuki Akinaga
  • Journal Title: Japanese Journal of Applied Physics 44・2 Pages: 893-894
  • NAID: 210000059228
• [Journal Article] Spin polarization effects on O_2 dissociation from heme-O_2 adduct (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hideaki Kasai
  • Journal Title: Japanese Journal of Applied Physics 44・2
  • NAID: 10014420274
• [Journal Article] Orientation dependence of O_2 dissociation from heme-O_2 adduct (2005)
  • Author(s): Muneyuki Tsuda, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: Chemical Physics Letters 42・1-3 Pages: 71-74
• [Journal Article] 希薄磁性半導体の電子状態と強磁性に関する動的クラスター近似を用いた解析 (2005)
  • Author(s): 松中大介, 笠井秀明, Wilson Agerico Dino, 中西寛
  • Journal Title: 真空 48・3 Pages: 163-165
  • NAID: 10015476600
• [Journal Article] Ni(111)表面に吸着した鉄ナノワイヤー内包カーボンナノチューブの磁性 (2005)
  • Author(s): 箕作真鑑, 岸智弥, 松中大介, Wilson Agerico Dino, Md.Mahmudur Rahman, 中西寛, 笠井秀明
  • Journal Title: 真空 48・3 Pages: 196-198
  • NAID: 10015476680
• [Journal Article] Si(001)表面上のFe吸着原子の構造と磁性 (2005)
  • Author(s): 鈴木健司, 岸智弥, 松中大介, Wilson Agerico Dino, 中西寛, 笠井秀明
  • Journal Title: 真空 48・3 Pages: 199-201
  • NAID: 10015476690
• [Journal Article] Density functional calculations for H_2 adsorption on Fe(OH)_3 by considering molecular orientation (2005)
  • Author(s): Rifki Muhida, Agus Susanto, Tomoya Kishi, Tanglaw Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: 真空 48・3 Pages: 205-207
  • NAID: 10015476710
• [Journal Article] 第一原理計算によるPt(111)におけるシクロヘキサンの脱水素反応 (2005)
  • Author(s): 津田宗幸, Wilson Agerico Dino, 中西寛, 渡辺晋, 笠井秀明
  • Journal Title: 真空 48・3 Pages: 208-210
  • NAID: 10015476731
• [Journal Article] Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model (2005)
  • Author(s): Md.Mahmudur Rahman, Rifki Muhida, Wilson Agerico Dino, Hirohshi Nakanishi, Hideaki Kasai
  • Journal Title: 真空 48・3 Pages: 232-234
  • NAID: 10015476802
• [Journal Article] Examining poly(phenylene sulfide) adhesion using cluster models (2005)
  • Author(s): Tanglaw Roman, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Journal Title: 真空 48・3 Pages: 235-237
  • NAID: 10015476816
• [Presentation] 金属表面での磁性原子の振舞-近藤効果の実空間像とRKKY相互作用の影響 (2009)
  • Author(s): 笠井秀明
  • Organizer: 日本物理学会第64回年次大会
• [Presentation] A DFT-based design for the atomic scale processes on polymer exchange fuel cell electrodes (2009)
  • Author(s): Melanie David, Eben Dy, Tanglaw Roman, Mary Clare Escano, Ngoc Son Do, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 日本物理学会第64回年次大会
• [Presentation] A Screening Method for Constructing ReRAM Based on Computational Materials Design (2009)
  • Author(s): Tomoko Ohya, Hirofumi Kishi, Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: First International Symposium on Atomically Contr oiled Fabrication Technology-Surface and Thin Film Processing-
  • Place of Presentation: Icho-Kaikan, Osaka University
• [Presentation] A DFT-based Study of Small Water Cluster System (2009)
  • Author(s): Handoko Setyo Kuncoro, Melanie D avid Yadao, Rachid Belkada, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
• [Presentation] 第一原理計算によるリチウムイオン二次電池のリチウム挿入されたSi負極の電子状態の解明 (2008)
  • Author(s): 窪田善之, Mary, Clare, Sison, Escano, 中西寛, 笠井秀明
  • Organizer: 電気化学会第75回大会
  • Place of Presentation: 山梨大学
  • Year and Date: 2008-03-29
• [Presentation] 磁性原子ダイマー間の磁気的相互作用がSTSに及ぼす影響 (2008)
  • Author(s): 南谷 英美、中西 寛, Wilson Agerico Dillo, 笠井 秀明
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-26
• [Presentation] First principles-based investigation on oxygen adsorption on Fe-filled (3,3) SWNT (2008)
  • Author(s): Melanie, David・Hiroshi, Nakanishi・Hideaki, Kasai・Hiroyuki, Kawai・Shigeaki, Murata・Shinichi, Matsumoto
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-26
• [Presentation] First principles investigation on atomic structure and stability of Pt monolayer on Fe(001) (2008)
  • Author(s): Mary, Clare, Sison, Escano・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-24
• [Presentation] 固体表面における酸素分子の解離吸着に関する量子ダイナミクス (2008)
  • Author(s): 藤尾孝郎, Mary, Clare, Sison, Escano・Wilson, Agerico, Dino, 中西 寛, 笠井 秀明
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-24
• [Presentation] 近藤効果によるエネルギー散逸 (2008)
  • Author(s): 福村 修士, 南谷 英美, Do, Ngoc, Son・Mahmudur, Rahman, 中西 寛, Wilson, Agerico, Dino, 笠井 秀明
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-23
• [Presentation] Fundamental nanoscale investigations on the adsorption and absorption of TM atoms in SWNT (2008)
  • Author(s): Melanie, David・Koichiro, Kasai・Hideaki, Kasai
  • Organizer: International Carbon Nanotube Conference in Nagoya
  • Place of Presentation: Nagoya University
  • Year and Date: 2008-02-14
• [Presentation] 量子ダイナミクスシミュレーションNANIWAとその燃料電池開発への応用事例 (2008)
  • Author(s): 笠井秀明
  • Organizer: 第37回薄膜・表面物理基礎講座計算機実習予定と技術的課題
• [Presentation] Theoretical study of the hydrogen absorption on the Pd surface (2008)
  • Author(s): Hiroshi Nakanishi
  • Organizer: 日本物理学会2008年秋季大会シンポジウム
• [Presentation] 固体表面における酸素分子の解離吸着に関する量子ダイナミクス (2008)
  • Author(s): 藤尾孝郎, Mary Clare Sison Escano, Wilson Agerico Dino, 中西寛, 笠井秀明
  • Organizer: 日本物理学会第63回年次大会
• [Presentation] A systematic study of hydrogen atom behaviors on various Pd alloy surfaces with the aid of the first principles calculations (2008)
  • Author(s): Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: The 4th Vacuum and Surface Sciences Conference of Asia and Australia (VASSCAA-4)
• [Presentation] Reactivity of diatomic molecule on bimetallic surface: the case of O_2 adsorption and dissociation on Pt/Fe (2008)
  • Author(s): Mary Clare Escano, Hideaki Kasai
  • Organizer: AVS 55th International Symposium and Exhibition
• [Presentation] Alternative PEFC cathode catalyst design by first principles (2008)
  • Author(s): Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Conference on Quantum Simulators and Design (QSD2008)
• [Presentation] Quantum dynamics of the dissociative adsorption of O_2 on monolayer Pt covered Fe(001) surface (2008)
  • Author(s): Kourou Fujio, Tanglaw Roman, Mary Clare Sison Escano, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Conference on Quantum Simulators and Design (QSD2008)
• [Presentation] Hydrogen storage in nano-pores on metal surfaces (2008)
  • Author(s): Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
  • Organizer: International Conference on Quantum Simulators and Design(QSD2008)
  • Place of Presentation: 日本科学未来館
• [Presentation] Quantum simulation case studies for solid surface-bound hydrogen atom states : potential energy treatment for H on Pt (2008)
  • Author(s): Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Conference on Quantum Simulators and Design(QSD2008)
  • Place of Presentation: 日本科学未来館
• [Presentation] Elucidating H-CO repulsion on metal surfaces (2008)
  • Author(s): Tanglaw Roman, Hiroshi Nakanishi Hideaki Kasai
  • Organizer: 11th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University-Manila, Philippines
• [Presentation] DFT study on the adsorption of NO on various metal tape-porphyrins (2008)
  • Author(s): Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Surface Science and Nanotechnology
  • Place of Presentation: Waseda university, Tokyo
• [Presentation] The role of ligand effects in the modification of reactivity of bimetallic surfaces : Pt monolayer on various substrates (2008)
  • Author(s): Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: International Symposium on Surface Science and Nanotechnology
  • Place of Presentation: Waseda university, Tokyo
• [Presentation] Pt/γ-A12O3上でのNOとOの振る舞いに関する第一原理計算 (2008)
  • Author(s): 近石 匡裕, Nguyen, Tien, Quang, 国方 伸一, 中西 寛, 笠井秀明
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 近畿大学
• [Presentation] 磁性原子対吸着系の磁気相互作用とSTM像 (2007)
  • Author(s): 南谷英美、中西寛、W.A.Din、笠井秀明
  • Organizer: 真空に関する連合講演会
  • Place of Presentation: 学習院大学
  • Year and Date: 2007-11-14
• [Presentation] 第一原理計算に基づくTiO2の反応性イオンエッチングの反応経路評価 (2007)
  • Author(s): 岸浩史, Roman, Tanglaw・David, Melanie, 尾津伸樹, Nelson, B.・Alboleda, Jr., 中西寛, 笠井秀明, 高野史好, 島久, 秋永広幸
  • Organizer: 真空に関する連合講演会
  • Place of Presentation: 学習院大学
  • Year and Date: 2007-11-14
• [Presentation] Alq3と金属電極の界面での相互作用に関する理論的研究 (2007)
  • Author(s): 篠部賢二, 岸浩史, 中西寛, Wilson, Agerico, Dmo, 笠井秀明
  • Organizer: 真空に関する連合講演会
  • Place of Presentation: 学習院大学
  • Year and Date: 2007-11-14
• [Presentation] 磁性原子対吸着系のSTS測定と電子相関効果 (2007)
  • Author(s): 南谷英美、中西寛、W.A.Dino、笠井秀明
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-22
• [Presentation] A comparative in vestigation on the effect of oxygen atom and molecules in the reactive ion etching of NiO thin films (2007)
  • Author(s): Melanic, David・Tanglaw, Roman・Hirofumi, Kishi・Hiroshi, Nakanishi・Wilson, Dino・Hideaki, Kasai・Fumiyoshi, Takano・Hisashi, Shima・Hiro, Akinaga
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-22
• [Presentation] First Principles Calculations on Dissociative Adsorption of O2 on Pt/Fe(001) (2007)
  • Author(s): Mary, Clare, Sison, Escano・Tomoya, Kishi・Shinichi, Kunikata・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-22
• [Presentation] Frictional coefficient of atoms on a surface (2007)
  • Author(s): Do, Ngoc, Son・Syuji, Fukumura・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-22
• [Presentation] Density functional study on influence of magnetic materials on the dissociative adsorption of O2 (2007)
  • Author(s): Md., Mahmudur, Rahman・Mary, Clare, Sison, Escano・Rifki, Muhida・Do, Ngoc, Son・Shinichi, Kunikata・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-21
• [Presentation] 第一原理計算に基づく3d遷移金属内包単層カーボンナノチューブの電気伝導性 (2007)
  • Author(s): 笠井 宏一郎, Melanie, David・Rahnan, MD., Mahnudur・Wilson, Agerico, Dino, 国方 伸一, 中西 寛, 笠井 秀明
  • Organizer: 第68回応用物理学会学術講演会
  • Place of Presentation: 北海道工業大学
  • Year and Date: 2007-09-07
• [Presentation] 固体高分子形燃料電池の燃料極における原子スケール・ダイナミクスの研究 (2007)
  • Author(s): 国方伸一, 津田宗幸, Nelson, B., Arboleda, Jr., Melanie, Y., David, 堀口明子, 中西寛, 笠井秀明
  • Organizer: 第68回応用物理学会学術講演会
  • Place of Presentation: 北海道工業大学
  • Year and Date: 2007-09-07
• [Presentation] Electronic and magnetic properties of carbon nanotubes with TM nanowire on metal surfaces (2007)
  • Author(s): Melanie, David・Koichiro, Kasai・Joapuin, Moreno・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 9th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University-Manila, Philippines
  • Year and Date: 2007-08-10
• [Presentation] PtML/Fe(001) as alternative cathode catalyst: a first principles study (2007)
  • Author(s): Mary, Clare, Sison, Escano・Tomoya, Kishi・Shinichi, Kunikata・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 9th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University-Manila, Philippines
  • Year and Date: 2007-08-10
• [Presentation] The design of an artificial hydrogenase H-subcluster (2Fe3S) on Calixarenes by Density Functional Theory (2007)
  • Author(s): Eben, Sy, Dy・Hideaki, Kasai
  • Organizer: 9th Osaka University-De La Salle University Academic Workshop
  • Place of Presentation: De La Salle University-Manila, Philippines
  • Year and Date: 2007-08-10
• [Presentation] 計算機マテリアルデザイン入門-基礎と応用 (2007)
  • Author(s): 中西寛、Wilson, Agerico, Dino
  • Organizer: 平成19年度 スーパーコンピュータシンポジウム:大阪大学サイバーメディアセンター
  • Place of Presentation: 大阪大学銀杏会館
  • Year and Date: 2007-08-03
• [Presentation] 大学における高等研モデルを適用した共同研究運営と社会人学生教中育のケーススタディー (2007)
  • Author(s): 笠井秀明、堀口明子、国方伸一、西寛、Wilson, Agerico, Tan, Dino
  • Organizer: 日本知財学会 第5回年次学術研究発表会
  • Place of Presentation: 東京大学
  • Year and Date: 2007-06-30
• [Presentation] Computational NanoMaterials Design-From Basics to Actual Applications (2007)
  • Author(s): Hirofumi, Kishi・Melanie, Y., David・Tanglaw, A., Roman・Nobuki, Ozawa・Hiroshi, Nakanishi・Wilson, A., T., Dino・Hideaki, Kasai
  • Organizer: 2007 CERC 国際シンポジウム
  • Place of Presentation: 秋葉原コンベンションセンター
  • Year and Date: 2007-05-25
• [Presentation] Atom scale dynamics in fuel cell and computational materials design (CMD) (2007)
  • Author(s): Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: Asian Physics Symposium 2007 -The 2nd Asian Physics Symposium-
• [Presentation] Computational nanomaterials design : Recent progress in fuel cell research (2007)
  • Author(s): Hideaki Kasai, Tanglaw Roman, Wilson Agerico Dino, Eben Sy Dy, Muneyuki Tsuda
  • Organizer: American Chemical Society 234th National Meeting & Exposition
• [Presentation] Theoretical study of hydrogen atom behaviors on the Pd(111) surface and in its subsurface via quantum dynamical manners (2007)
  • Author(s): Nobuki Ozawa, Nelson B. Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
  • Organizer: IVC-17/ICSS-13 and ICN+T 2007 Congress
• [Presentation] Density functional investigations on heme-based catalysts for potential fuel cell applications (2007)
  • Author(s): Eben, Sy, Dy・Hideaki, Kasai
  • Organizer: 2nd International Workshop on Materials Science and Nano-Engineering
  • Place of Presentation: Awaji Island, Japan
• [Presentation] Surface etching dynamics: on the vibrational heating of desorbing copper monohalides (2007)
  • Author(s): Tanglaw, Roman・Hirofumi, Kishi・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 2nd International Workshop on "Materials Science and Nano-Engineering"
  • Place of Presentation: Awaji Island, Japan
• [Presentation] A theoretical investigation on oxygen adsorption on Fe-filled (3, 3) SWNT (2007)
  • Author(s): M., Davidl・H., Nakanishi・H., Kasail・H., Kawai2・S., Murata2・S., Matsumoto2
  • Organizer: 2nd International Workshop on "Materials Science and Nano-Engineering"
  • Place of Presentation: Awaji Island, Japan
• [Presentation] First principles investigation on lithiated Si anode in lithium ion batteries (2007)
  • Author(s): Yoshiyuki, Kubota・Mary Clare・Sison, Escano・Hiroshi, Nakanlshi・Hideaki, Kasai
  • Organizer: 2nd International Workshop on "Materials Science and Nano-Engineering"
  • Place of Presentation: Awaji Island, Japan
• [Presentation] First principles investigation on the atomic structure and stability of Pt monolayer on Fe(001) (2007)
  • Author(s): Mary, Clare, Sison, Escano・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 2nd International Workshop on "Materials Science and Nano-Engineering"
  • Place of Presentation: Awaji Island, Japan
• [Presentation] Reaction proceess of gas molecules on the CoO(001)surface in the reactive ion etching via first principles calulations approach (2007)
  • Author(s): Nobuki, Ozawa・Hirofumi, Kishi・Tanglaw Roman・Melanie Davld・Nelson, Buntimil, Arboleda, Jr.・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 2nd International Workshop on Materials Science and Nano-Engineering
  • Place of Presentation: Awaji Island, Japan
• [Presentation] Density functional theory calculation based reactive ion etching (RIE) process model for TiO2(anatase) thin film (2007)
  • Author(s): Hirofumi, Kishi・David, Melanie・Roman, Tanglaw・Hiroshi, Nakanishi・Hideaki, Kasai・Fumiyoshi, Takano・Hisashi, Shima・Hiro, Akinaga
  • Organizer: 9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
  • Place of Presentation: The University of Tokyo
• [Presentation] A study of atomic scale dynamics in a fuel electrode of a polymer electrolyte fuel cell (2007)
  • Author(s): Shinichi, Kunikata・Nelson, B・Arboleda, Jr.・Melanie, Y., David・Akiko, Horiguchi・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] First-principles modeling of the reactive ion etching method for TiO2 (anatase) (2007)
  • Author(s): Hirofumi, Kishi・Tanglaw, Roman・Melanie, David・Nobuki, Ozawa・Reiko, Tanaka・Nelson, Buntimil, Arboleda, Jr.・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] A systematic investigation of single-walled carbon nanotubes filled with transition metal wires on metal surfaces (2007)
  • Author(s): Melanie, David・Koichiro, Kasai・Joapuin, Moreno・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] The effect of magnetic interaction of the adatoms on the STS (2007)
  • Author(s): Emi, Minamitani・Wilson, Agerico, Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] Pt_<MI>/Fe(001) as alternative cathode catalyst: a first principles study (2007)
  • Author(s): Mary, Clare, Sison, Escano・Tomoya, Kishi・Shinichi, Kunikata・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] On the vibrational heating of desorbing etching by-products: copper monohalides (2007)
  • Author(s): Tanglaw, Roman・Hirofumi, Kishi・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] Spin effects on proton transfer in Nafion side chains (2007)
  • Author(s): Do, Ngoc, Son・Hideaki, Kasai
  • Organizer: International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
  • Place of Presentation: 大阪大学銀杏会館
• [Presentation] 磁性原子対吸着系の磁気的相互作用とSTS測定 (2007)
  • Author(s): 南谷英美、中西寛、W.A.Dino、笠井秀明
  • Organizer: 低温走査トンネル顕微鏡の現状と展望
  • Place of Presentation: 東京大学物性研
• [Presentation] The design of an artificial hydrogenase H-subcluster (2Fe3S) on calixarenes by density finctional theory (2007)
  • Author(s): Eben, Sy, Dy・Hideaki, Kasai
  • Organizer: Handai Nanoscience and Nanotechnology International Symposium 2007
  • Place of Presentation: Sigma Hall, Osaka University
• [Presentation] TiO2アナターゼ型における反応性イオンエッチングの動的モデルの提案 (2007)
  • Author(s): 岸浩史, Roman, Tanglaw, David, Melanie, 田中玲子, 中西寛, 笠井秀明
  • Organizer: 第68回応用物理学会学術講演会
  • Place of Presentation: 北海道工業大学
• [Presentation] 近藤効果のAFM像II (2007)
  • Author(s): 福村修士, 南谷英美, Do, Ngoc, Son・Mahmndur, Rahman, 中西寛, Wilson Agerico Dino, 笠井秀明
  • Organizer: 第68回応用物理学会学術講演会
  • Place of Presentation: 北海道工業大学
• [Presentation] Computational nanomaterials design: Recent progress in fuel cell research (2007)
  • Author(s): Hideaki, Kasai・Tanlaw, Roman・Wilson, Agerico, Dino・Eben, Sy, Dy・Muneyuki, Tsuda
  • Organizer: American Chemical Society 234th National Meeting & Exposition
  • Place of Presentation: Boston, Massachusetts, USA
• [Presentation] Dissociative Adsorption of O2 on Pt/Fe (2007)
  • Author(s): Mary, Clare, Sison, Escano・Tomoya, Kishi・Shinichi, Kunikata, Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: ICNDR 2007/International Conference on Nanospintronic Design and Realization 2007
  • Place of Presentation: Dresden, Germany
• [Presentation] Magnetic and electronic calculations of single-wall carbon nanotubes filled with TM on metal surfaces (2007)
  • Author(s): Melanie, David・Tbmoya, Kishi・Wilson, Agerico, Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: IVC-17/ICSS-13 and ICN+T 2007 Congress
  • Place of Presentation: Stockholm, Sweden
• [Presentation] Dynamics of halogen-assisted Cu atom abstraction from Cu(111) and CuO(100) (2007)
  • Author(s): Tanglaw, Roman, Wilson・Agerico, Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: IVC-17/ICSS-13 and ICN+T 2007 Congress
  • Place of Presentation: Stockholm, Sweden
• [Presentation] The effect of the spin states of two magnetic atoms adsorbed on metal surface in scanning tunneling spectroscopy (2007)
  • Author(s): Emi, Minamitani・Wilson, Agerico, Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: IVC-17/ICSS-13 and ICN+T 2007 Congress
  • Place of Presentation: Stockholm, Sweden
• [Presentation] Halogen-assisted copper atom abstraction dynamics (2007)
  • Author(s): Tanglaw, Roman・Wilson, Agerico, Dino・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: ISSP 2007-The 9th International Symposium on Sputtering and Plasma Processes
  • Place of Presentation: Kanazawa Kokusai Hotel
• [Presentation] First principles calculations-based model for the reactive ion etching of metal oxide surfaces (2007)
  • Author(s): Melanie, David・Tanglaw, Roman・Rifki, Muhida・Hiroshi, Nakanishi・Wilson, Agerico, Dino・Hideaki, Kasai・Fumiyoshi, Takano・Hisashi, Shima・Hiroyuki, Akinaga
  • Organizer: ISSP 2007-The 9th International Symposium on Sputtering and Plasma Processes
  • Place of Presentation: Kanazawa Kokusai Hotel
• [Presentation] First principles investigation of electric and magnetic properties of benzene-transition metal multiple-decker sandwich chain (2007)
  • Author(s): Md., Mahmudur, Rahman・Rifki, Muhida・Hiroshi, Nakanishi・Hideaki, Kasai
  • Organizer: 研究会-分子系の構造と電子状態-『生物物質科学』を目指して
  • Place of Presentation: 理化学研究所
• [Presentation] Hydrogen Energy and Fuel Cells (2006)
  • Author(s): Hideaki Kasai, Tanglaw Roman
  • Organizer: 第3回環境・エネルギーワークショップ
  • Place of Presentation: 大阪大学中之島センター, 大阪
• [Book] 固体高分子形燃料電池要素材料・水素貯蔵材料の知的設計 (2008)
  • Author(s): 笠井秀明, 津田宗之
  • Publisher: 大阪大学出版会
• [Book] 工業材料:特集 水素貯蔵材料の動向と応用展望 「特定の振動を表面に付加して水素の出入りを容易にする」 (2008)
  • Author(s): 笠井秀明, 田中玲子, 中西寛
  • Publisher: 日刊工業出版プロダクション
• [Book] 未来材料:「計算機マテリアルデザイン」 (2008)
  • Author(s): 笠井秀明, 国方伸一, 中西寛
  • Publisher: エヌ・ティー・エス(印刷中)
• [Book] 吉田博編"計算機マテリアルデザイン入門" (2005)
  • Author(s): 笠井秀明, 赤井久純
  • Publisher: 大阪大学出版会
• [Book] 計算機マテリアルデザイン入門 (2005)
  • Author(s): 笠井秀明, 赤井久純, 吉田博編
  • Total Pages: 397
  • Publisher: 大阪大学出版会
• [Patent(Industrial Property Rights)] スピン分極された白金を用いて反応を促進させる方法およびその利用 (2006)
  • Inventor(s): 笠井秀明、中西寛、津田宗幸
  • Industrial Property Rights Holder: 国立大学法人 大阪大学
  • Filing Date: 2006-06-27
• [Patent(Industrial Property Rights)] スピン分極された白金を用いて反応を促進させる方法およびその利用 (2006)
  • Inventor(s): 笠井秀明, 中西寛, 津田崇幸
  • Industrial Property Rights Holder: 大阪大学
  • Industrial Property Number: 2006-176888
  • Filing Date: 2006-06-27