CuSbS2 as a promising earth-abundant photovoltaic absorber material: A combined theoretical and experimental study
CuSbS2 as a promising earth-abundant photovoltaic absorber material: A combined theoretical and experimental study
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DOI：
10.1021/cm500516v
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发表时间：
2014-05
影响因子：
8.6
通讯作者：
Bo Yang;Liang Wang;H. Jun;Ying Zhou;Huaibing Song;Shiyou Chen;Jie Zhong;Lu Lv;Dongmei Niu-Dongmei
中科院分区：
文献类型：
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作者：
Bo Yang;Liang Wang;H. Jun;Ying Zhou;Huaibing Song;Shiyou Chen;Jie Zhong;Lu Lv;Dongmei Niu-Dongmei
最近，CuSbS 2已被提出作为薄膜太阳能电池的替代地球丰富的吸收材料。然而，还没有系统的研究CuSbS 2的化学，光学和电学性质的报道。利用密度泛函理论（DFT）计算，我们发现CuSbS 2具有上级缺陷物理特性，禁带中复合中心缺陷浓度极低，特别是在富S条件下.它具有固有的p型导电性，这是由具有浅电离能级和最低形成能的主要Cu空位（VCu）缺陷决定的。采用肼基溶液工艺，成功地获得了相纯、高结晶度、大晶粒尺寸的CuSbS 2薄膜。光学吸收研究表明，我们的CuSbS 2具有1.4 eV的直接带隙。紫外光电子能谱（UPS）研究表明，导带和价带位于相对于真空能级的3.85 eV和−5.25 eV处，相对于真空能级，导带和价带的相对位置分别为-1.25 eV和-1.25 eV。
Recently, CuSbS2 has been proposed as an alternative earth-abundant absorber material for thin film solar cells. However, no systematic study on the chemical, optical, and electrical properties of CuSbS2 has been reported. Using density functional theory (DFT) calculations, we showed that CuSbS2 has superior defect physics with extremely low concentration of recombination-center defects within the forbidden gap, espeically under the S rich condition. It has intrinsically p-type conductivity, which is determined by the dominant Cu vacancy (VCu) defects with the a shallow ionization level and the lowest formation energy. Using a hydrazine based solution process, phase-pure, highly crystalline CuSbS2 film with large grain size was successfully obtained. Optical absorption investigation revealed that our CuSbS2 has a direct band gap of 1.4 eV. Ultraviolet photoelectron spectroscopy (UPS) study showed that the conduction band and valence band are located at 3.85 eV and −5.25 eV relative to the vacuum level, re...