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Volumn 194-197, Issue , 2002, Pages 153-160
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Chemical modification of rutile TiO2(1 1 0) surface by ab initio calculations for the purpose of CO2 adsorption
a
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Author keywords
Ab initio calculation; Adsorption; Chemical modification; Surface
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Indexed keywords
CARBON DIOXIDE;
CARRIER CONCENTRATION;
CHARGE TRANSFER;
ELECTROSTATICS;
GAS ADSORPTION;
OPTIMIZATION;
QUANTUM THEORY;
SURFACE TREATMENT;
TITANIUM DIOXIDE;
QUANTUM CHEMICAL CALCULATIONS;
CHEMICAL MODIFICATION;
CARBON DIOXIDE;
HYDROGEN;
TITANIUM DIOXIDE;
ADSORPTION;
CARBON DIOXIDE;
MODIFICATION;
TITANIUM DIOXIDE;
AB INITIO CALCULATION;
ADSORPTION;
CHEMICAL MODIFICATION;
CONFERENCE PAPER;
ELECTRICITY;
GEOMETRY;
MOLECULAR INTERACTION;
MOLECULAR STABILITY;
POLARIZATION;
QUANTUM CHEMISTRY;
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EID: 0037196770
PISSN: 03783812
EISSN: None
Source Type: Journal
DOI: 10.1016/S0378-3812(01)00775-0 Document Type: Conference Paper |
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Times cited : (23)
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References (20)
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