자료유형 | 학위논문 |
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서명/저자사항 | Study of Phase Equilibria and Defect Chemistry of the Cu-Zn-Sn-S System from First-Principles and Computational Thermodynamics Towards Photovoltaic Applications. |
개인저자 | Guan, Pin-Wen. |
단체저자명 | The Pennsylvania State University. Materials Science and Engineering. |
발행사항 | [S.l.]: The Pennsylvania State University., 2018. |
발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2018. |
형태사항 | 216 p. |
기본자료 저록 | Dissertation Abstracts International 79-12B(E). Dissertation Abstract International |
ISBN | 9780438134881 |
학위논문주기 | Thesis (Ph.D.)--The Pennsylvania State University, 2018. |
일반주기 |
Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
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요약 | Recently, there has been an increasing interest in the photovoltaic materials Cu2ZnSnS4 (CZTS) due to earth-abundancy and non-toxicity of its constituent elements. Its alloy with Se, Cu2ZnSn(S,Se) 4 (CZTSSe), has reached a conversion efficiency |
요약 | In this dissertation, the phase equilibria and defect chemistry of the Cu-Zn-Sn-S system are modeled using a methodology integrating the CALculation of PHAse Diagram (CALPHAD) method and first-principles calculations. The S-Se system is also mod |
요약 | A large portion of effort in this dissertation is devoted to the methodology development, which can be divided into three categories: first-principles calculations, CALPHAD method, and their integration. For the first-principles calculations, th |
일반주제명 | Materials science. Thermodynamics. Computational physics. |
언어 | 영어 |
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