Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag<sub>3</sub>PO<sub>4</sub>: an in-depth theoretical investigation
Felipe Lipsky, Luís Henrique da Silveira Lacerda, Sérgio Ricardo de Lázaro, E. Longo, Juan Andrés, Miguel A. San‐Miguel
Abstract
the presence of a large amount of undercoordinated Ag cations and a high value work function. Beyond the innovative results, this work shows a good synergy between both kinds of DFT approaches.
Topics & Concepts
PhotocatalysisChemistryMineralogyMaterials scienceEnvironmental chemistryAnalytical Chemistry (journal)CatalysisOrganic chemistryAdvanced Photocatalysis TechniquesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications