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Citation: Zhang Ji-Shu, Zhang Wen-Xia, Wang Ze-Xin. Adsorption and Diffusion of Hydrogen Atom on Pd Loe Index Surfaces[J]. Acta Physico-Chimica Sinica, ;1996, 12(09): 773-779. doi: 10.3866/PKU.WHXB19960902 shu

Adsorption and Diffusion of Hydrogen Atom on Pd Loe Index Surfaces

1.
Department of Applied Chemistry,Qingdao Institute of Chemical Technology,Qingdao 266042

Received Date: 20 December 1995
Available Online: 15 September 1996

The 5-parameter-Morse potential of interaction between hydrogen and palladium was constructed, the adsorption and diffusion of hydrogen atom on Pd(100),Pd(111),Pd(110) low index surfaces were studied by means of the classical pair potential methods. The data of the adsorption sites, adsorption geometry, binding energy and eigenvibration etc were obtained for a hydrogen atom on Pd surfaces, they are in od agreement with the experimental results. Meanwhile, the construction of adsoption diffusion potential energy surface was systematically studied for three systems.
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