| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394802 | Computational and Theoretical Chemistry | 2012 | 9 Pages |
Abstract
⺠Ni was adsorbed at different coverage on Anatase (0 0 1) surface and different spin multiplicity states were assayed. ⺠At the lowest coverage Ni adsorbed on hole at the triplet and singlet multiplicity states. ⺠Spin was transferred to the surface in different ways, surface underwent deformations and turned out to be very reactive. ⺠At the monolayer, only the singlet multiplicity was found and there was neither distortion nor spin on the surface. ⺠The surface energy per Ni atom decreased with the increasing coverage to a saturation value.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
E. Escamilla-Roa, V. Timón, A. Hernández-Laguna,