DFT study of the adsorption of aspartic acid on pure, N-Doped, and Ca-Doped rutile (110) surfaces

Journal of Physical Chemistry C

Volumn 115, Issue 38, 2011, Pages 18572-18581

  Guo, Ya Nan ^a   Lu, Xiong ^a,b   Zhang, Hong Ping ^a   Weng, Jie ^a   Watari, Fumio ^b   Leng, Yang ^c  

^a SOUTHWEST JIAOTONG UNIVERSITY   (China)

^b HOKKAIDO UNIVERSITY   (Japan)

^c HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ASPARTIC ACIDS; BIDENTATE COORDINATION; BIOMEDICAL APPLICATIONS; CA-DOPED; CARBOXYL GROUPS; DFT STUDY; EFFECT OF WATER; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERACTION MECHANISMS; ION DOPING; N-DOPED; N-DOPING; NITROGEN-DOPED; POTENTIAL IMPACTS; TI ATOMS;

ADSORPTION; AMINO ACIDS; ATOMS; CALCIUM; DENSITY FUNCTIONAL THEORY; ENERGY MANAGEMENT; HYDROGEN BONDS; MEDICAL APPLICATIONS; OXIDE MINERALS; QUANTUM THEORY; TITANIUM; TITANIUM OXIDES;

SURFACES;

EID: 80053077939     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200598t     Document Type: Article

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