The mechanism of semiconductor to metal transition in the hydrogenation of VO2: a density functional theory study

Author:

Dai Jian12,Shi Yong1,Chen Cuiting1,Chen Xing1,Zhao Cuihua13ORCID,Chen Jianhua13ORCID

Affiliation:

1. School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China

2. ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311215, China

3. Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning 530004, China

Abstract

The hydrogenation of VO2 surface can decrease its energy gap, and it would finally transfer from semiconductor to conductor with increasing the hydrogen content.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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