DFT calculations of carbon monoxide adsorbed on anatase TiO2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequency

Author： Scaranto Jessica   Giorgianni Santi  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.39, Iss.3, 2013-03, pp. : 245-249

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Adsorption of selected ions on the anatase TiO2 (101) surface: a density-functional study

By Kinga Bruska Marta   Szaciłowski Konrad   Piechota Jacek  

Molecular Simulation, Vol. 35, Iss. 7, 2009-06 ,pp. : 567-576

Taylor & Francis Ltd

Access to resources Recommend Favorite

Mechanism of nano-anatase TiO2 on promoting photosynthetic carbon reaction of spinach: Inducing complex of Rubisco-Rubisco activase

By Gao Fengqing   Hong Fashui   Liu Chao   Zheng Lei   Su Mingyu   Wu Xiao   Yang Fan   Wu Cheng   Yang Ping  

Biological Trace Element Research, Vol. 111, Iss. 1-3, 2006-06 ,pp. : 239-253

Humana Press, Inc

Access to resources Recommend Favorite

Promotion of Energy Transfer and Oxygen Evolution in Spinach Photosystem II by Nano-anatase TiO2

By Mingyu Su   Xiao Wu   Chao Liu   Chunxiang Qu   Xiaoqing Liu   Liang Chen   Hao Huang   Fashui Hong  

Biological Trace Element Research, Vol. 119, Iss. 2, 2007-11 ,pp. : 183-192

Humana Press, Inc

Access to resources Recommend Favorite

Influences of Nano-anatase TiO2 on the Nitrogen Metabolism of Growing Spinach

By  

Biological Trace Element Research, Vol. 110, Iss. 2, 2006-05 ,pp. : 179-190

Humana Press, Inc

Access to resources Recommend Favorite

OH frequency calculations for the hydroxylated MgO(001) surface

By Alfredsson Maria   Hermansson Kersti  

Molecular Simulation, Vol. 28, Iss. 6, 2002-01 ,pp. : 663-681

Taylor & Francis Ltd

Access to resources Recommend Favorite