Oxygen chemisorption on the PbS(001) surface: Quantum-chemical modelingстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The structure and stability of local centers involving a different number of oxygen atoms on the surface of crystalline lead sulfide (001) were calculated in the framework of the cluster approach by the hybrid density functional theory B3LYP method. The trends of the formation of such centers and changes in the core electron binding energies for the sulfur and lead atoms constituting these centers were considered.