The effects of hydroxyl groups on Ca adsorption on rutile surfaces: A first-principles study

Journal of Materials Science: Materials in Medicine

Volumn 21, Issue 1, 2010, Pages 1-10

  Lu, Xiong ^a,b   Zhang, Hong Ping ^b   Leng, Yang ^a   Fang, Liming ^c   Qu, Shuxin ^b   Feng, Bo ^b   Weng, Jie ^b   Huang, Nan ^b  

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

^b SOUTHWEST JIAOTONG UNIVERSITY   (China)

^c SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE ENVIRONMENT; BIOACTIVE CALCIUM PHOSPHATES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; HYDROXYL GROUPS; IN-VITRO; OH GROUP; RUTILE SURFACES; TITANIUM SURFACES;

ADSORPTION; CALCIUM; CALCIUM PHOSPHATE; DENSITY FUNCTIONAL THEORY; HYDROXYAPATITE; TITANIUM;

OXIDE MINERALS;

CALCIUM; HYDROXYAPATITE; HYDROXYL GROUP; TITANIUM DIOXIDE;

ADSORPTION KINETICS; ALKALINITY; ARTICLE; ATOM; CHEMICAL BINDING; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; OXIDATION; PRIORITY JOURNAL; SURFACE PROPERTY;

ADSORPTION; CALCIUM; COMPUTATIONAL BIOLOGY; HYDROXYAPATITES; HYDROXYL RADICAL; MATERIALS TESTING; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; OXIDATION-REDUCTION; SURFACE PROPERTIES; TITANIUM; WATER;

EID: 75049085825     PISSN: 09574530     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10856-009-3828-8     Document Type: Article

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