Please use this identifier to cite or link to this item: https://doi.org/10.1039/c1cp20908f
Title: Effect of nitrogen and intrinsic defect complexes on conversion efficiency of ZnO for hydrogen generation from water
Authors: Lu, Y.H. 
Russo, S.P.
Feng, Y.P. 
Issue Date: 21-Sep-2011
Citation: Lu, Y.H., Russo, S.P., Feng, Y.P. (2011-09-21). Effect of nitrogen and intrinsic defect complexes on conversion efficiency of ZnO for hydrogen generation from water. Physical Chemistry Chemical Physics 13 (35) : 15973-15976. ScholarBank@NUS Repository. https://doi.org/10.1039/c1cp20908f
Abstract: Band gap narrowing is important for applications of ZnO, especially for photoelectrochemical water splitting. In this work, we carried out first-principles electronic structure calculations with a hybrid density functional on defected ZnO. It is found that nitrogen substitutional doping alone cannot explain the largely enhanced conversion efficiency observed in nitrogen doped ZnO. Instead, complex defects formed by substitutional nitrogen and intrinsic defects play an important role in the band gap narrowing, in agreement with recent experimental results. We propose ZnO fabricated in a Zn-rich environment with heavy nitrogen doping as a photocatalyst for hydrogen generation from water splitting. A method for controlling the band gap of ZnO is also proposed. © 2011 the Owner Societies.
Source Title: Physical Chemistry Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/96327
ISSN: 14639076
DOI: 10.1039/c1cp20908f
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

18
checked on Sep 20, 2018

WEB OF SCIENCETM
Citations

17
checked on Sep 10, 2018

Page view(s)

25
checked on Aug 17, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.