Study of the M-doped Effect (M=Al, Ag, W) on the Dissociation of O2 on Cu Surface Using a First Principles Method
The O2 adsorption and dissociation on M-doped (M=Al, Ag, W) Cu (111) surface were studied by density functional theory. The adsorption energy of adsorbate, the average binding energy and surface energy of Cu surface, and the doping energy of doping atom were calculated. All the doped atoms can be st...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)
2021-03-01
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| Series: | Materials Research |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392021000100223&tlng=en |