2026-04-17T05:23:43Zhttps://recercat.cat/oai/request

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

00925njm 22002777a 4500 dc Torres, D. author Carro, P. author Salvarezza, R. C. author Illas i Riera, Francesc author 2019-09-19T11:31:09Z 2019-09-19T11:31:09Z 2006-11-30 2019-09-19T11:31:09Z 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. Termodinàmica Estructura atòmica Thermodynamics Atomic structure Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S