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Monte Carlo simulation of hydrogen adsorption on Ni surfaces |
WANG Rui, DENG Hui-qiu, YUAN Xiao-jian, HU Wang-yu |
School of Physics and Microelectronics Science, Hunan University, Changsha 410082, China; |
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Abstract In the present paper the adsorption kinetics of the hydrogen molecule on the (111) and (100) surfaces have been studied with the model proposed by Panczyk and the grand canonical Monte Carlo simulation method. The equilibrium adsorption isotherms are calculated at five different temperatures ranging from 314 K to 376 K and compared with the experimental equilibrium adsorption isotherms. The effects of temperature and pressure on coverage are also analyzed.
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Issue Date: 05 June 2007
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