Development of Multilevel Simulator of Dye-Sensitized Solar Cell Based on Quantum Theory

基于量子理论的染料敏化太阳能电池多级模拟器的研制

• 批准号: 23655169
• 负责人: HATAKEYAMA Nozomu
• 金额: $ 1.41万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Challenging Exploratory Research
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011 至 2012
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23655169/
• 关键词: 太陽電池; シミュレーション工学; 化学工学

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.

在原有的超加速量子化学分子动力学模拟器、基于动力学Monte Carlo方法的电荷转移模拟器、构建和分析微米至毫米尺度电极材料介观结构的多孔介质模拟器和宏观IV特性模拟器的基础上，开发了一个实用的染料敏化太阳能电池多级模拟器。特别是从液体泄漏、挥发性和耐久性的观点出发，已经开发了模拟器，以进行使用固体电解质或离子液体的系统的计算。

项目成果

固体型色素増感太陽電池のマルチレベルシミュレーション

固态染料敏化太阳能电池的多级模拟

• 发表时间: 2011
• 作者: 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;Akira Miyamoto;Nozomu Hatakeyama;畠山望,南雲亮,三浦隆治,鈴木愛,坪井秀行,高羽洋充,宮本明
• 通讯作者: 畠山望,南雲亮,三浦隆治,鈴木愛,坪井秀行,高羽洋充,宮本明

Experiments integrated modeling of TiO_2 nanoskeleteon and its application by computational chemistry

TiO_2纳米骨架实验综合建模及其计算化学应用

• 发表时间: 2012
• 期刊: Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
• 作者: 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
• 通讯作者: and Akira Miyamoto

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 experiments

基于超加速量子化学分子动力学的微重力实验纳米骨架TiO_2合成实验综合多尺度、多物理计算方法的发展

• 发表时间: 2012
• 期刊: Extended Abstracts of ZMPC2012 (International Symposium on Zeolites and Microporous Crystals)
• 作者: 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
• 通讯作者: and Naokiyo Koshikawa

Development of experiments integrated multi-scale, multi-physics computational methods based on ultra-accelerated quantum chemical molecular dynamics for nanoskeleton TiO2 synthesis for microgravity experiments

开发基于超加速量子化学分子动力学的集成多尺度、多物理计算方法，用于微重力实验的纳米骨架TiO2合成

• 发表时间: 2012
• 期刊: Extended Abstracts of ZMPC 2012
• 作者: 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;Akira Miyamoto
• 通讯作者: Akira Miyamoto

Experiments integrated modeling of TiO2 nanoskeleteon and its application by computational chemistry

TiO2纳米骨架实验综合建模及其计算化学应用

• 发表时间: 2012
• 期刊: Extended Abstracts of ZMPC 2012
• 作者: 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;Akira Miyamoto;Nozomu Hatakeyama
• 通讯作者: Nozomu Hatakeyama