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DFT+U Study of Properties of MoO3 and Hydrogen Adsorption on MoO3(010)

Authors :
Yan-Hua Lei
Zhao-Xu Chen
Source :
The Journal of Physical Chemistry C. 116:25757-25764
Publication Year :
2012
Publisher :
American Chemical Society (ACS), 2012.

Abstract

MoO3 is an important catalytic material, and there exist controversial viewpoints about its surface structure, oxygen vacancy, and hydrogen adsorption, which are crucial for rationalizing the catal...

Subjects

Subjects :
General Energy
Computational chemistry
Chemistry
Surface structure
Physical and Theoretical Chemistry
Oxygen vacancy
Hydrogen adsorption
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Catalysis

Details

ISSN :
19327455 and 19327447
Volume :
116
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........d9472989b5f270cf91463842e7b97db4
Full Text :
https://doi.org/10.1021/jp304122n
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