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

University of Science and Technology Beijing
Tsinghua University
Shenzhen University
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences
Far Eastern State Transport University
Siberian Federal University
Nantes Université
China Academy of Engineering Physics
Northwestern University

Research output: Contribution to journal › Article › peer-review

40 Scopus citations

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
State	Published - 13 Feb 2018
Externally published	Yes

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SDG 7 Affordable and Clean Energy

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10.1021/acs.chemmater.7b05104

Cite this

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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 = "Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

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doi = "10.1021/acs.chemmater.7b05104",

language = "英语",

volume = "30",

pages = "1121--1126",

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T1 - CsCu5Se3

T2 - A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application

AU - Xia, Zhiguo

AU - Fang, Huajing

AU - Zhang, Xiuwen

AU - Molokeev, Maxim S.

AU - Gautier, Romain

AU - Yan, Qingfeng

AU - Wei, Su Huai

AU - Poeppelmeier, Kenneth R.

PY - 2018/2/13

Y1 - 2018/2/13

N2 - 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.

AB - 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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U2 - 10.1021/acs.chemmater.7b05104

DO - 10.1021/acs.chemmater.7b05104

M3 - 文章

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SN - 0897-4756

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SP - 1121

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JF - Chemistry of Materials

IS - 3

ER -

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

Abstract

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