Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>

Energy sustainability is critical for social activities in the human world. The quaternary compound Cu<sub>2</sub>ZnSnSe<sub>4</sub> (CZTSe), as a promising candidate for thin-film solar cell absorption with medium-level thermoelectric performance, is of interest for the purp...

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Main Authors: Wei Xu, Yujun Zhang, Kenji Ishii, Hiroki Wadati, Yingcai Zhu, Zhiying Guo, Qianshun Diao, Zhen Hong, Haijiao Han, Lidong Zhao
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Condensed Matter
Subjects:
Online Access:https://www.mdpi.com/2410-3896/8/1/8
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author Wei Xu
Yujun Zhang
Kenji Ishii
Hiroki Wadati
Yingcai Zhu
Zhiying Guo
Qianshun Diao
Zhen Hong
Haijiao Han
Lidong Zhao
author_facet Wei Xu
Yujun Zhang
Kenji Ishii
Hiroki Wadati
Yingcai Zhu
Zhiying Guo
Qianshun Diao
Zhen Hong
Haijiao Han
Lidong Zhao
author_sort Wei Xu
collection DOAJ
description Energy sustainability is critical for social activities in the human world. The quaternary compound Cu<sub>2</sub>ZnSnSe<sub>4</sub> (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 Cu<sub>2</sub>ZnSnSe<sub>4</sub>. The occupational atomic sites of Cu are found to be mixed with the Zn atoms, forming Cu<sub>Zn</sub> 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.
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spelling doaj.art-bbb7458cf3c24167bfa946137ab545112023-11-17T10:26:44ZengMDPI AGCondensed Matter2410-38962023-01-0181810.3390/condmat8010008Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>Wei Xu0Yujun Zhang1Kenji Ishii2Hiroki Wadati3Yingcai Zhu4Zhiying Guo5Qianshun Diao6Zhen Hong7Haijiao Han8Lidong Zhao9Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaBeijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaSynchrotron Radiation Research Center, National Institutes for Quantum Science and Technology, Sayo-gun, Hyogo 679-5148, JapanGraduate School of Materials Science, University of Hyogo, 3-2-1 Kouto, Kamigori-cho, Ako-gun, Hyogo 678-1297, JapanSchool of Materials Science and Engineering, Beihang University, Beijing 100191, ChinaBeijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaBeijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaBeijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaBeijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaSchool of Materials Science and Engineering, Beihang University, Beijing 100191, ChinaEnergy sustainability is critical for social activities in the human world. The quaternary compound Cu<sub>2</sub>ZnSnSe<sub>4</sub> (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 Cu<sub>2</sub>ZnSnSe<sub>4</sub>. The occupational atomic sites of Cu are found to be mixed with the Zn atoms, forming Cu<sub>Zn</sub> 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.https://www.mdpi.com/2410-3896/8/1/8Cu<sub>2</sub>ZnSnSe<sub>4</sub>solar cellX-ray absorption spectroscopy (XAS)
spellingShingle Wei Xu
Yujun Zhang
Kenji Ishii
Hiroki Wadati
Yingcai Zhu
Zhiying Guo
Qianshun Diao
Zhen Hong
Haijiao Han
Lidong Zhao
Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
Condensed Matter
Cu<sub>2</sub>ZnSnSe<sub>4</sub>
solar cell
X-ray absorption spectroscopy (XAS)
title Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
title_full Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
title_fullStr Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
title_full_unstemmed Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
title_short Experimental and Theoretical Investigation of High-Resolution X-ray Absorption Spectroscopy (HR-XAS) at the Cu <i>K</i>-Edge for Cu<sub>2</sub>ZnSnSe<sub>4</sub>
title_sort experimental and theoretical investigation of high resolution x ray absorption spectroscopy hr xas at the cu i k i edge for cu sub 2 sub znsnse sub 4 sub
topic Cu<sub>2</sub>ZnSnSe<sub>4</sub>
solar cell
X-ray absorption spectroscopy (XAS)
url https://www.mdpi.com/2410-3896/8/1/8
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