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High-Throughput Screening Delafossite CuMO2 (M = IIIA, 3d, 4d, 5d, and RE) Optoelectronic Functional Materials Based on First-Principles Calculations

Authors :
Qing-Lu Liu
Ting Zhao
Zong-Yan Zhao
Source :
The Journal of Physical Chemistry C. 123:14292-14302
Publication Year :
2019
Publisher :
American Chemical Society (ACS), 2019.

Abstract

To design and develop high-performance optoelectronic functional materials, the crystal structures and compositions should be fully considered. Copper-based chalcogenides as the core materials of o...

Details

ISSN :
19327455 and 19327447
Volume :
123
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........263ed88f6f20ab1ec3061f3bb81806a9