@article{063b6e3d9f384668a6fc0a4566e9c0fc,
title = "CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application",
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.",
author = "Zhiguo Xia and Huajing Fang and Xiuwen Zhang and Molokeev, {Maxim S.} and Romain Gautier and Qingfeng Yan and Wei, {Su Huai} and Poeppelmeier, {Kenneth R.}",
note = "Funding Information: The present work was supported by the National Natural Science Foundation of China (Grants 51722202, 91622125, 51572023, 51672023, 11774239, and U1530401), and Natural Science Foundation of Beijing (Grant 2172036). K.R.P. recognizes that this work was made possible by support from the National Science Foundation (Awards DMR-1608218 and DMR-1307698). X.Z. and S.H.W. acknowledge the support from National Key R&D Program of China (Grant 2016YFB0700700). Funding Information: The present work was supported by the National Natural Science Foundation of China (Grants 51722202, 91622125, 51572023, 51672023 11774239, and U1530401), and Natural Science Foundation of Beijing (Grant 2172036). K.R.P. recognizes that this work was made possible by support from the National Science Foundation (Awards DMR-1608218 and DMR-1307698). X.Z. and S.H.W. acknowledge the support from National Key R&D Program of China (Grant 2016YFB0700700).",
year = "2018",
month = feb,
day = "13",
doi = "10.1021/acs.chemmater.7b05104",
language = "English",
volume = "30",
pages = "1121--1126",
journal = "Chemistry of Materials",
issn = "0897-4756",
publisher = "American Chemical Society",
number = "3",
}