A quantum-chemical study based on a supermolecularapproach and using a modified MIND0/3 method was applied to study the interactions of methane (a) with a ZnO surface containing structural defects i.e., low-coordinated ZnG and 0:; ions and (b) with dioxygen preadsorbed on various oxygen vacancies of
โฆ LIBER โฆ
Theoretical study of oxygen chemisorption on zinc surface by cluster models
โ Scribed by Eizo Miyazaki; Masaru Tsukada; Hirohiko Adachi
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 381 KB
- Volume
- 131
- Category
- Article
- ISSN
- 0167-2584
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