Development of Multilevel Simulator of Dye-Sensitized Solar Cell Based on Quantum Theory
Project/Area Number |
23655169
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Research Category |
Grant-in-Aid for Challenging Exploratory Research
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Allocation Type | Multi-year Fund |
Research Field |
Functional materials/Devices
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Research Institution | Tohoku University |
Principal Investigator |
HATAKEYAMA Nozomu 東北大学, 未来科学技術共同研究センター, 准教授 (50312666)
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Project Period (FY) |
2011 – 2012
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Project Status |
Completed (Fiscal Year 2012)
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Budget Amount *help |
¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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Keywords | 太陽電池 / シミュレーション工学 / 化学工学 |
Research Abstract |
Based on the original ultra-accelerated quantum chemical molecular dynamics simulaor, the career transfer simulator by the kinetic Monte Carlo method, the porous media simulator which constructs and analyzes micrometer- to millimetre-scaled mesoscopicstructures of electrode material, and the macroscopic IV characteristic simulator, a practical multilevel simulator of dye-sensitized solar cell has been developed. Especially from a viewpoint of a liquid leakage, volatility and durability, the simulator has been developed so as to perform calculation of the system using a solid electrolyte or an ionic liquid.
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Report
(3 results)
Research Products
(12 results)
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[Journal Article] Experiments integrated modeling of TiO_2 nanoskeleteon and its application by computational chemistry2012
Author(s)
Nozomu Hatakeyama, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura,, Ai Suzuki, Hideyuki Tsuboi, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Takeshi Endo, Hideki Sakai, Masahiko Abe, Naokiyo Koshikawa, and Akira Miyamoto
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Journal Title
Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
Pages: 2-2
Related Report
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[Journal Article] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO_2 synthesis for microgravity experiments2012
Author(s)
Akira Miyamoto, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama,Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Masahiko Abe, and Naokiyo Koshikawa
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Journal Title
Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
Pages: 2-2
Related Report
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[Presentation] Experiments integrated modeling of TiO_2 nanoskeleteon and its application by computational chemistry2012
Author(s)
Nozomu Hatakeyama, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura,, Ai Suzuki, Hideyuki Tsuboi, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, MarkC. Williams, Takeshi Endo, Hideki Sakai, Masahiko Abe, Naokiyo Koshikawa, and Akira Miyamoto
Organizer
ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
Place of Presentation
広島
Year and Date
2012-07-31
Related Report
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[Presentation] Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO2 synthesis for microgravity experiments2012
Author(s)
Akira Miyamoto, Mari Onodera, Kotaro Okushi, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Sumio Kozawa, Hiroshi Fukui, Mark C. Williams, Masahiko Abe, and Naokiyo Koshikawa
Organizer
ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
Place of Presentation
広島
Year and Date
2012-07-29
Related Report
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