2026-04-13T01:38:52Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1405082025-11-19T20:33:50Zcom_2072_1057col_2072_478796col_2072_478917

urn:hdl:2445/140508 Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S Torres, D. Carro, P. Salvarezza, R. C. Illas i Riera, Francesc Termodinàmica Estructura atòmica Thermodynamics Atomic structure The atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions. 2019-09-19T11:31:09Z 2019-09-19T11:31:09Z 2006-11-30 2019-09-19T11:31:09Z info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Reproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.97.226103 Physical Review Letters, 2006, vol. 97, num. 22, p. 226103 https://doi.org/10.1103/PhysRevLett.97.226103 (c) American Physical Society, 2006 info:eu-repo/semantics/openAccess American Physical Society Articles publicats en revistes (Ciència dels Materials i Química Física)