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 | |
| Publication status | Published - Feb 13 2018 |
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ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Materials Chemistry
Cite this
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
}
TY - JOUR
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.
UR - http://www.scopus.com/inward/record.url?scp=85042034174&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85042034174&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.7b05104
DO - 10.1021/acs.chemmater.7b05104
M3 - Article
AN - SCOPUS:85042034174
VL - 30
SP - 1121
EP - 1126
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 3
ER -