Published February 2005
| Version v1
Journal article
Molecular Orbital Studies for Na Chemisorption on the Ga-stabilized GaAs(100) Surface
Creators
- 1. Wonkwang University, Iksan (Korea, Republic of)
Description
Using the ASED-MO total energy calculations of the model clusters, we have investigated the adsorption site and the corresponding adsorption bond length of Na on the Ga-stabilized GaAs(100) surface. The bridge site (III) is the most stable site for the adsorption, and the distance between Na and the surface is 1.47 A. Our calculations suggest that this bridge site (III), the furthest one from the As atoms, is the most effective adsorption site of Na. It suggests that Na may interact more effectively with Ga than with As in the low Na coverage
Additional details
Publishing Information
- Journal Title
- Journal of the Korean Chemical Society
- Journal Volume
- 49
- Journal Issue
- 1
- Series
- 35 refs, 5 figs, 2 tabs
- Journal Page Range
- p. 29-34
- ISSN
- 1017-2548
INIS
- Country of Publication
- Korea, Republic of
- Country of Input or Organization
- Korea, Republic of
- INIS RN
- 46084412
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ADSORPTION; ARSENIC; ATOMS; CHEMISORPTION; COMPUTER CALCULATIONS; EFFICIENCY; SODIUM; SURFACES
- Descriptors DEC
- ALKALI METALS; CHEMICAL REACTIONS; ELEMENTS; METALS; SEMIMETALS; SEPARATION PROCESSES; SORPTION