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020 ▼a 9780438134881
035 ▼a (MiAaPQ)AAI10903663
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 247004
0820 ▼a 620.11
1001 ▼a Guan, Pin-Wen.
24510 ▼a Study of Phase Equilibria and Defect Chemistry of the Cu-Zn-Sn-S System from First-Principles and Computational Thermodynamics Towards Photovoltaic Applications.
260 ▼a [S.l.]: ▼b The Pennsylvania State University., ▼c 2018.
260 1 ▼a Ann Arbor: ▼b ProQuest Dissertations & Theses, ▼c 2018.
300 ▼a 216 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
5021 ▼a Thesis (Ph.D.)--The Pennsylvania State University, 2018.
520 ▼a 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
520 ▼a 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
520 ▼a 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
590 ▼a School code: 0176.
650 4 ▼a Materials science.
650 4 ▼a Thermodynamics.
650 4 ▼a Computational physics.
690 ▼a 0794
690 ▼a 0348
690 ▼a 0216
71020 ▼a The Pennsylvania State University. ▼b Materials Science and Engineering.
7730 ▼t Dissertation Abstracts International ▼g 79-12B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0176
791 ▼a Ph.D.
792 ▼a 2018
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T15000656 ▼n KERIS ▼z 이 자료의 원문은 한국교육학술정보원에서 제공합니다.
980 ▼a 201812 ▼f 2019
990 ▼a ***1012033