Development of a computational approach for accurate prediction of material properties and its application to the search for novel photovoltaic materials
| Project/Area Number |
15H04125
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Inorganic materials/Physical properties
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
Oba Fumiyasu 東京工業大学, 科学技術創成研究院, 教授 (90378795)
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| Co-Investigator(Kenkyū-buntansha) |
林 博之 京都大学, 工学(系)研究科(研究院), 助教 (50727419)
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| Co-Investigator(Renkei-kenkyūsha) |
HINUMA Yoyo 京都大学, 工学研究科, 特定助教 (80648238)
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| Project Period (FY) |
2015-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥12,610,000 (Direct Cost: ¥9,700,000、Indirect Cost: ¥2,910,000)
Fiscal Year 2016: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2015: ¥8,580,000 (Direct Cost: ¥6,600,000、Indirect Cost: ¥1,980,000)
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| Keywords | 第一原理計算 / 太陽電池 / 半導体 / 格子欠陥 / 太陽電池材料 |
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| Outline of Final Research Achievements |
The increasing demands for photovoltaic cells have stimulated the search for alternative photoabsorber materials recently. The materials search process is made to be efficient if the properties and stability of materials are accurately predicted using computer simulations. In this study, we have developed a first-principles approach to the prediction of material properties and stability, and applied it to the search for photoabsorber materials. The results include the prediction of a novel nitride semiconductor and its experimental verification, demonstrating the accelerated materials discovery by the computer-assisted materials search.
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Report
(3 results)
Research Products
(19 results)
