THEORY OF HYDROGEN CHEMISORPTION ON METAL SURFACES

1988/01/01 by FENG WEI-GUO, SUN XIN, Chia-Wei Woo +2
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Hydrogen Storage and Materials

paper · doi:10.7498/aps.37.1298

openalex publication_date 1988/01/01 · openalex created_date 2016/07/22 · openalex updated_date 2026/07/31

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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