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01-04U

01-04U


By icmp_admin - Posted on 08 February 2012

UDC: 
539.211; 542.97
PACS: 
82.65.Jv, 34.50.D

Investigations of adsorption of the hydrogen, nitrogen and $OH^-$ groups on transition-metal surfaces

I.V. Stasyuk
R.Ya. Stetsiv
I.R. Dulepa

Calculations of the potential energies of the hydrogen, nitrogen and $OH^-$ groups on the transition-metal surfaces are performed by the quantum-chemical method ZINDO/1. Dependences of adiabatic potentials on the distance to surface and adsorbate location are obtained. Adsorption and dissociation processes of such molecules are studied as a function of the metal surface structure. The charges of the adsorbed and own surface atoms are calculated. Adsorption energies of the hydrogen, nitrogen and $OH^-$ groups on the transition-metal surface are obtained.

Year: 
2001
Pages: 
19
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