Journal
PHYSICS LETTERS A
Volume 374, Issue 48, Pages 4919-4927Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2010.10.014
Keywords
Doping effects; Monoclinic BiVO4; Density functional theory calculations
Categories
Funding
- National Basic Research Program of China [2007CB613301, 2007CB613305]
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The doping effects of several transition metal impurities for monoclinic BiVO4 are studied by DFT calculations The results indicated that transition metal doping could reduce the effective mass of holes on the top of valence band except Zr doping In particular we found the e states of impurities have significant influence on the photophysical properties of BiV1-xMxO4 under visible-light irradiation (C) 2010 Elsevier B V All rights reserved
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