Article ID Journal Published Year Pages File Type
5384122 Chemical Physics Letters 2011 4 Pages PDF
Abstract
► Size-dependent electronic structure of rutile TiO2 quantum dots. ► The passivation results in increasing the HOMO-LUMO gap. ► The HOMO densities for rutile quantum dots are delocalized throughout the whole cluster. ► The LUMO densities are strongly localized on few surface Ti atoms.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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