Add to ORKGAuthor Institution: Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901The CO virbational frequency shifts upon its adsorption on bimetallic Pt/Au clusters were studied using density functional theory (DFT) calculations. The CO molecule was adsorbed at different sites of a bimetalic Pt/Au cluster to determine the favorable adsorption site. Various Pt compositions of Pt/Au clusters were used to study the CO adsorption process. The DFT calculations have shown that the CO vibrational frequency was shifted from 2134 cm$^{-1}$ of an isolated molecule to the range of 2000-2100 cm$^{-1}$ after the adsorption to a Pt/Au cluster. In general, the redshift is larger when a CO molecule is adsorbed to a Pt ...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
Density functional theory calculations have been performed to investigate the use of CO as a probe m...
This work reports for the first time the trends for carbon monoxide (CO) chemisorption on transition...
An all-electron scalar relativistic (AER) calculation on AunPtCO (n = 1–12) clusters had been perfor...
An all-electron scalar relativistic (AER) calculation on AunPtCO (n = 1–12) clusters had been perfor...
We have studied the vibrational properties of CO adsorbed on platinum and platinum-ruthenium surface...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
Density functional theory calculations have been performed to investigate the use of CO as a probe m...
This work reports for the first time the trends for carbon monoxide (CO) chemisorption on transition...
An all-electron scalar relativistic (AER) calculation on AunPtCO (n = 1–12) clusters had been perfor...
An all-electron scalar relativistic (AER) calculation on AunPtCO (n = 1–12) clusters had been perfor...
We have studied the vibrational properties of CO adsorbed on platinum and platinum-ruthenium surface...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
Density functional theory calculations have been performed investigating the use of CO as a probe mo...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
International audienceCombined Density Functional Theory (DFT) calculations and Diffuse Reflectance ...
