3 years ago

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

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

Publisher URL: http://dx.doi.org/10.1021/acs.chemmater.7b05104

DOI: 10.1021/acs.chemmater.7b05104

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