Electronic structure and bonding of hydrogen in a screw dislocated bcc Fe
The bonding of H-Fe is analyzed using qualitative electronic calculations in the framework of the atom superposition and electron delocalization orbital cluster method (ASED-MO). The changes in the electronic structure of bcc Fe upon introduction, a screw dislocation are compared with Fe surfaces. A...
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| Autores principales: | Juan, A., Irigoyen, B., Gesari, S. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01694332_v172_n1-2_p8_Juan |
| Aporte de: |
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