2013 Fiscal Year Final Research Report
Atomic scale investigation of interface of photovoltaic cell material
| Project/Area Number |
23656395
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Inorganic materials/Physical properties
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| Research Institution | The University of Tokyo |
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Principal Investigator |
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| Project Period (FY) |
2011 – 2013
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| Keywords | 太陽電池 / 光吸収層 / カルコパイライト型化合物 / 第一原理計算 / 透過型電子顕微鏡 / 粒界 / 空孔 / 構造機能相関 |
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| Research Abstract |
We investigated atomic structure, band structure, and band bending at the grain boundary of CIS and chalcopyrite materials. By combining first principles band structure calculation, hybrid function calculation, and atomic resolution HAADF-STEM method, we revealed the grain boundary of CIS and related materials (APL 2012). Furthermore, we found that the band structure and bending is closely related to the coordination of atoms at the grain boundary (2014). The vacancy formation behavior was also investigated using the first principles calculation, and we obtained quantitative pictures on the vacancy formation in the grain boundary of CIS and related materials (PRB 2012, JCerJpn 2014).
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