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Title: The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)

Abstract

Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 andmore » adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.« less

Authors:
 [1];  [1];  [2];  [3];  [4];  [1];  [1]
  1. College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)
  2. Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)
  3. Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences, Beijing 100190 (China)
  4. Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China)
Publication Date:
OSTI Identifier:
22584100
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 238; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPARATIVE EVALUATIONS; CRYSTALS; GALLIUM COMPLEXES; MELTING; SELENIDES; SILICON COMPLEXES; SILVER COMPLEXES; SOLUTIONS; SPACE GROUPS; SYNTHESIS; THREE-DIMENSIONAL CALCULATIONS; THREE-DIMENSIONAL LATTICES

Citation Formats

Zhang, Shiyan, Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn, Du, Xin, Lin, Zheshuai, Zhong, Junbo, Wu, Yuandong, E-mail: wuyuandong2013@outlook.com, and Xu, Jingli. The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2). United States: N. p., 2016. Web. doi:10.1016/J.JSSC.2016.03.006.
Zhang, Shiyan, Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn, Du, Xin, Lin, Zheshuai, Zhong, Junbo, Wu, Yuandong, E-mail: wuyuandong2013@outlook.com, & Xu, Jingli. The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2). United States. doi:10.1016/J.JSSC.2016.03.006.
Zhang, Shiyan, Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn, Du, Xin, Lin, Zheshuai, Zhong, Junbo, Wu, Yuandong, E-mail: wuyuandong2013@outlook.com, and Xu, Jingli. 2016. "The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)". United States. doi:10.1016/J.JSSC.2016.03.006.
@article{osti_22584100,
title = {The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)},
author = {Zhang, Shiyan and Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn and Du, Xin and Lin, Zheshuai and Zhong, Junbo and Wu, Yuandong, E-mail: wuyuandong2013@outlook.com and Xu, Jingli},
abstractNote = {Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.},
doi = {10.1016/J.JSSC.2016.03.006},
journal = {Journal of Solid State Chemistry},
number = ,
volume = 238,
place = {United States},
year = 2016,
month = 6
}