Study of hydrogen adsorption on the Ti (0 0 0 1)-(1 × 1) surface by density functional theory

Applied Surface Science

Volumn 255, Issue 5 PART 2, 2008, Pages 3164-3169

  Guo, Jianxin ^a   Guan, Li ^a   Wang, Shubiao ^a   Zhao, Qingxun ^a   Wang, Yinglong ^a   Liu, Baoting ^a  

^a HEBEI UNIVERSITY   (China)

Author keywords

Adsorption; Density functional theory; Hydrogen; Surface; Titanium

Indexed keywords

ADSORPTION; GAS ADSORPTION; HYDROGEN; SURFACES; TITANIUM;

ADSORPTION ENERGIES; DENSITY OF STATE; HYDROGEN ADSORPTION; HYDROGEN INSERTION; INSERTION SITE; INTERLAYER SURFACE; MULLIKEN POPULATIONS; TETRAHEDRAL SITES;

DENSITY FUNCTIONAL THEORY;

EID: 56949096783     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2008.09.006     Document Type: Article

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