Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu K-Edge for Cu2ZnSnSe4
Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu K-Edge for Cu2ZnSnSe4
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DOI：
10.3390/condmat8010008
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发表时间：
2023-01
期刊：
影响因子：
1.7
通讯作者：
Wei Xu;Yujun Zhang;K. Ishii;H. Wadati;Yingcai Zhu;Zhiying Guo;Qianshun Diao;Zhen Hong;Haijiao Han;Lidong Zhao
中科院分区：
文献类型：
--
作者：
Wei Xu;Yujun Zhang;K. Ishii;H. Wadati;Yingcai Zhu;Zhiying Guo;Qianshun Diao;Zhen Hong;Haijiao Han;Lidong Zhao
能源可持续性对于人类世界的社会活动至关重要。四元化合物Cu_2ZnSnSe_4（CZTSe）作为一种具有中等热电性能的薄膜太阳能电池吸收材料，在太阳能利用方面具有重要意义。这种特殊化合物中的缺陷化学和原子有序性也引发了人们对理解其晶体结构和缺陷的兴趣。据此，高能量分辨率的X射线吸收光谱是用来调查的电子和几何结构的复杂性，在原始的和钴掺杂的Cu2ZnSnSe4。Cu占据的原子位置被发现与Zn原子混合，形成CuZn反缺陷，其充当调节局部电子结构的旋钮。通过适当的掺杂，可以控制能带结构，以改善CZTSe化合物的光学和热电性能。
Energy sustainability is critical for social activities in the human world. The quaternary compound Cu2ZnSnSe4 (CZTSe), as a promising candidate for thin-film solar cell absorption with medium-level thermoelectric performance, is of interest for the purpose of utilizing solar energy. The defect chemistry and atomic ordering in this particular compound also triggers interests in understanding its crystallographic structure as well as defects. Hereby, high energy resolution X-ray absorption spectroscopy is employed to investigate the electronic and geometric structural complexity in pristine and cobalt-doped Cu2ZnSnSe4. The occupational atomic sites of Cu are found to be mixed with the Zn atoms, forming CuZn anti-defects, which serve as a knob to tune local electronic structures. With proper doping, the band structure can be manipulated to improve the optical and thermoelectric properties of the CZTSe compounds.