scholarly journals Insights into the Coadsorption and Reactivity of O and CO on Ru(0001) and Their Coverage Dependence

Author(s):  
Auguste Tetenoire ◽  
J. Iñaki Juaristi ◽  
Maite Alducin
Keyword(s):  
2007 ◽  
Vol 101 (1) ◽  
pp. 013512 ◽  
Author(s):  
Kiyoaki Usami ◽  
Kenji Sakamoto ◽  
Yoichi Uehara ◽  
Sukekatsu Ushioda

Clay Minerals ◽  
2018 ◽  
Vol 53 (3) ◽  
pp. 393-402 ◽  
Author(s):  
Jian Zhao ◽  
Wei Gao ◽  
Zhi-Gang Tao ◽  
Hong-Yun Guo ◽  
Man-Chao He

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.


1984 ◽  
Vol 143 (1) ◽  
pp. A288
Author(s):  
A. Yoshimori ◽  
Y. Odoi

2001 ◽  
Vol 63 (20) ◽  
Author(s):  
M. Getzlaff ◽  
M. Morgenstern ◽  
Chr. Meyer ◽  
R. Brochier ◽  
R. L. Johnson ◽  
...  

1999 ◽  
Vol 59 (11) ◽  
pp. 7697-7707 ◽  
Author(s):  
I. Vattulainen ◽  
S. C. Ying ◽  
T. Ala-Nissila ◽  
J. Merikoski

2002 ◽  
Vol 49 (14-15) ◽  
pp. 2423-2435 ◽  
Author(s):  
Katyayani Seal ◽  
Mark A. Nelson ◽  
Z. Charles Ying ◽  
Dentcho A. Genov ◽  
Andrey K. Sarychev ◽  
...  

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