Article ID Journal Published Year Pages File Type
5422979 Surface Science 2012 6 Pages PDF
Abstract
► First-principle study of the monoclinic WO3 reconstructed (001) surfaces. ► Formation of the oxygen point defects at the surface. ► n-Doping (p-doping) effect of the oxygen vacancy (adatom). ► Influence of the oxygen partial pressure on defect formation enthalpies. ► Interpretation of electrical resistivity measurements based on ab initio results.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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