DataVXChemistry of MaterialsPaper
journal article·2018-02-13

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

Chemistry of Materials· Volume 30· Issue 3
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Source abstract

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 CsCu 5 Se 3 is reported. The telluride CsCu 5 Te 3 is also predicted to be stable. CsCu 5 Se 3 is isostructural with CsCu 5 S 3 (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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Research context

Electronic materials

OpenAlex topics: Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China

Department of Chemistry, Tsinghua University, Beijing 100084, China

College of Electronic Science and Technology, Shenzhen University, Guangdong 518060, China

Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia

Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia

Siberian Federal University, Krasnoyarsk 660041, Russia

Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, Nantes, Cedex 03 44322, France

Beijing Computational Science Research Center, Beijing 100094, China

Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113, United States

Funding

Ministry of Science and Technology of the People's Republic of China · Natural Science Foundation of Beijing Municipality · National Natural Science Foundation of China · Division of Materials Research

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