Hydrogen adsorption sites studied by carbon monoxide adsorption to explain the hydrogenation activity of benzene on Pd and Pt catalysts

2006 ◽  
Vol 298 ◽  
pp. 161-167 ◽  
Author(s):  
C CHEN ◽  
J LIN ◽  
H CHEN
Keyword(s):  
Carbon Monoxide ◽  
Hydrogen Adsorption ◽  
Pt Catalysts ◽  
Carbon Monoxide Adsorption ◽  
Hydrogenation Activity ◽  
Adsorption Sites

scholarly journals Carbon monoxide adsorption on platinum-osmium and platinum-ruthenium-osmium mixed nanoparticles

2013 ◽  
Vol 138 (17) ◽  
pp. 174704 ◽  
Author(s):  
Nicholas Dimakis ◽  
Nestor E. Navarro ◽  
Eugene S. Smotkin
Keyword(s):  
Carbon Monoxide ◽  
Carbon Monoxide Adsorption ◽  
Mixed Nanoparticles

Monte Carlo simulations of carbon monoxide oxidation on Pt catalysts

1989 ◽  
Vol 208 (1-2) ◽  
pp. L80-L90
Author(s):  
P. Araya ◽  
W. Porod ◽  
R. Sant ◽  
E.E. Wolf
Keyword(s):  
Carbon Monoxide ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Carbon Monoxide Oxidation ◽  
Pt Catalysts

Kinetics of carbon monoxide adsorption on Re(0001) between 100 and 300 K

1983 ◽  
Vol 126 (1-3) ◽  
pp. 422-428 ◽  
Author(s):  
S. Tatarenko ◽  
R. Ducros ◽  
M. Alnot
Keyword(s):  
Carbon Monoxide ◽  
Carbon Monoxide Adsorption ◽  
Kinetics Of

Investigation, using density function theory, of coverage of the kaolinite (001) surface during hydrogen adsorption

Clay Minerals ◽  
2018 ◽  
Vol 53 (3) ◽  
pp. 393-402 ◽  
Author(s):  
Jian Zhao ◽  
Wei Gao ◽  
Zhi-Gang Tao ◽  
Hong-Yun Guo ◽  
Man-Chao He
Keyword(s):  
Density Functional ◽  
Hydrogen Adsorption ◽  
Function Theory ◽  
Lattice Relaxation ◽  
Electronic Density ◽  
Functional Theory ◽  
Adsorption Sites ◽  
Coverage Dependence ◽  
Hydrogen Molecules ◽  
Wide Range

ABSTRACTKaolinite can be used for many applications, including the underground storage of gases. Density functional theory was employed to investigate the adsorption of hydrogen molecules on the kaolinite (001) surface. The coverage dependence of the adsorption sites and energetics was studied systematically for a wide range of coverage, Θ (from 1/16 to 1 monolayer). The three-fold hollow site is the most stable, followed by the bridge, top-z and top sites. The adsorption energy of H2 decreased with increasing coverage, thus indicating the lower stability of surface adsorption due to the repulsion of neighbouring H2 molecules. The coverage has obvious effects on hydrogen adsorption. Other properties of the H2/kaolinite (001) system, including the lattice relaxation and changes of electronic density of states, were also studied and are discussed in detail.

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