Oxygen Overlayers on Pd(111) Studied by Density Functional Theory†
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چکیده
منابع مشابه
Structural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations
We have examined the adsorption behaviors of carbon monoxide (CO) molecule on TiO2 anatase supported Au overlayers. The results of density functional theory (DFT) calculations were used in order to gain insights into the effects of the adsorption of CO molecules on the considered hybrid nanostructures. We have investigated different adsorption geometries of CO over the nanoparticles....
متن کاملStructural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations
We have examined the adsorption behaviors of carbon monoxide (CO) molecule on TiO2 anatase supported Au overlayers. The results of density functional theory (DFT) calculations were used in order to gain insights into the effects of the adsorption of CO molecules on the considered hybrid nanostructures. We have investigated different adsorption geometries of CO over the nanoparticles....
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Badri Narayanan,1 Ivar E. Reimanis,1 Edwin R. Fuller, Jr.,2 and Cristian V. Ciobanu3,* 1Department of Metallurgy & Materials Engineering, Colorado School of Mines, Golden, Colorado 80401, USA 2Ceramics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA 3Division of Engineering, Colorado School of Mines, Golden, Colorado 80401, USA Received 2 January 2010...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2004
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp040088t