CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application

Zhiguo Xia; Huajing Fang; Xiuwen Zhang; Maxim S. Molokeev; Romain Gautier; Qingfeng Yan; Su Huai Wei; Kenneth R. Poeppelmeier

doi:10.1021/acs.chemmater.7b05104

CsCu₅Se₃: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application

Zhiguo Xia, Huajing Fang, Xiuwen Zhang, Maxim S. Molokeev, Romain Gautier, Qingfeng Yan, Su Huai Wei, Kenneth R. Poeppelmeier

Northwestern University

Research output: Contribution to journal › Article

17 Citations (Scopus)

Abstract

Discovery of new semiconductor candidates with suitable band gaps is a challenge for optoelectronic application. A facile solvothermal synthesis of a new ternary chalcogenide semiconductor CsCu₅Se₃ is reported. The telluride CsCu₅Te₃ is also predicted to be stable. CsCu₅Se₃ is isostructural with CsCu₅S₃ (space group Pmma). The band gap calculations of these chalcogenide semiconductors using hybrid density functional theory indicate nearly direct band gaps, and their values (about 1.4 eV) were confirmed by the optical absorption spectroscopy. These alkali metal copper chalcogenides are interesting examples of copper-rich structures which are commonly associated with favorable photovoltaic application.

Original language	English
Pages (from-to)	1121-1126
Number of pages	6
Journal	Chemistry of Materials
Volume	30
Issue number	3
DOIs	https://doi.org/10.1021/acs.chemmater.7b05104
Publication status	Published - Feb 13 2018

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)
Materials Chemistry

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CsCu₅Se₃ : A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application. / Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su Huai; Poeppelmeier, Kenneth R.

In: Chemistry of Materials, Vol. 30, No. 3, 13.02.2018, p. 1121-1126.

Research output: Contribution to journal › Article

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abstract = "Discovery of new semiconductor candidates with suitable band gaps is a challenge for optoelectronic application. A facile solvothermal synthesis of a new ternary chalcogenide semiconductor CsCu5Se3 is reported. The telluride CsCu5Te3 is also predicted to be stable. CsCu5Se3 is isostructural with CsCu5S3 (space group Pmma). The band gap calculations of these chalcogenide semiconductors using hybrid density functional theory indicate nearly direct band gaps, and their values (about 1.4 eV) were confirmed by the optical absorption spectroscopy. These alkali metal copper chalcogenides are interesting examples of copper-rich structures which are commonly associated with favorable photovoltaic application.",

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