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D. W. HUANG1, C. H. ZHAO1,* , F. M. ZHENG2, J. H. CHEN2, W. Z. LI1
The electronic structure and optical properties of VO2 and Ag/VO2 were studied via density functional theory (DFT). The calculation results show that the interaction between Ag and O is stronger than that between V and O. There exists not only the covalent bonding but also ionic bonding in Ag–O bond. The band gap of Ag/VO2 is smaller than that of VO2, while the dielectric constant, conductivity, and intensity of optical absorption of Ag/VO2 is larger than those of VO2..
Ag/VO2, Electronic structure, Optical property, DFT.
D. W. HUANG, C. H. ZHAO, F. M. ZHENG, J. H. CHEN, W. Z. LI, DFT study of electronic structure and optical properties of VO2 and Ag/VO2, Optoelectronics and Advanced Materials - Rapid Communications, 10, 7-8, July-August 2016, pp.532-536 (2016).
Submitted at: Nov. 19, 2015
Accepted at: Aug. 3, 2016
Optoelectronics and Advanced Materials - Rapid Communications
(2023): 0.5 - 2023 Journal Citation Reports (Clarivate Analytics, 2024)
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