Synergistic effect in Fe/N co-doped anatase TiO2(1 0 1) surface and the adsorption of di-, tri- and polyatomic gases: A DFT investigation

Journal of Molecular Structure

Volumn 1061, Issue 1, 2014, Pages 160-165

  Li, Zongbao ^a   Wang, Xia ^a   Jia, Lichao ^b   Chi, Bo ^b  

^a TONGREN UNIVERSITY   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Adsorption; Anatase TiO2; Energy barrier; Fe N co doped; First principle

Indexed keywords

ADSORPTION ENERGIES; ANATASE TIO; CO-DOPED; COMPREHENSIVE ANALYSIS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; IMPLANTED NITROGEN;

ADSORPTION; ATOMS; CALCULATIONS; CARBON DIOXIDE; ELECTRONIC STRUCTURE; ENERGY BARRIERS;

TITANIUM DIOXIDE;

EID: 84893372241     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2013.12.069     Document Type: Article

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