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THEORY OF HYDROGEN CHEMISORPTION ON METAL SURFACES

FENG WEI-GUO SUN XIN CHIA-WEI WOO

THEORY OF HYDROGEN CHEMISORPTION ON METAL SURFACES

FENG WEI-GUO, SUN XIN, CHIA-WEI WOO
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  • Received Date:  17 October 1987
  • Published Online:  06 July 2005

THEORY OF HYDROGEN CHEMISORPTION ON METAL SURFACES

  • 1. (1)复旦大学物理系; (2)美国加利福尼亚州立大学旧金山分校

Abstract: Based on the theory of correlated-basis-functions, and with the "big molecular" model, we have presented a new theory of hydrogen chemisorption on metal surfaces. Through the variational numerical calculation with respect to the parameter of position of adatom, we obtained chemisoption energies, electron densities, and equilibrium distances for the hydropen chemisorption on metals Al (rs = 2.07), Mg (rs = 2.66), Li (rs =3.28) and Na (rs =3.99) We also made a comparison with some other representative theories.

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