First principle investigation of atomic hydrogen adsorption on Pd-doped MgB2
Utilizing density functional theory calculations, the atomic adsorption of hydrogen on a Pd-doped Mg-terminated MgB2 (0001) surface was investigated in terms of total energies and structural properties. Pd doping of about 11% Mg surface sites in MgB2 caused the lattice parameters a and c to be reduc...
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| Main Authors: | , , , |
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| Format: | text |
| Published: |
Animo Repository
2013
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/11933 |
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| Institution: | De La Salle University |