In this work, we present a density functional theory (DFT) study of hydrogen interaction with Pt on a B2 FeTi (110) metallic surface. DFT is used to trace relevant orbital interactions and to discuss the electronic consequences of incorporating H on FeeTi bonding. We determined the optimal location
Geometry and interactions of hydrogen outside a platinum (111) surface
β Scribed by F. Flores; N.H. March; C.J. Wright
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 270 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0375-9601
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