Matches in SemOpenAlex for { <https://semopenalex.org/work/W1990615612> ?p ?o ?g. }
- W1990615612 abstract "Hybrid functional density functional theory calculations of the oxygen vacancy (V${}_{mathrm{O}}$) in monoclinic bulk WO${}_{3}$ provide a coherent rationalization for the strong dependence of WO${}_{3ensuremath{-}x}$ electronic properties on the V${}_{mathrm{O}}$ concentration and of the semiconductor-to-metal transition, a phenomenon intimately connected to the electrochromic effect. Different V${}_{mathrm{O}}$ centers containing W${}^{4+}$, W${}^{5+}$, and W${}^{6+}$ species are expected to coexist. Optical transition levels are 0.7--1.0 eV below the conduction band minimum, in agreement with experiments. The complex nature of V${}_{mathrm{O}}$ in WO${}_{3}$ can only be detected with methods that properly describe band gaps and polaronic distortions at defect sites." @default.
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- W1990615612 date "2011-08-15" @default.
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- W1990615612 title "Semiconductor-to-metal transition in WO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mrow><mml:mn>3</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math>: Nature of the oxygen vacancy" @default.
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- W1990615612 doi "https://doi.org/10.1103/physrevb.84.073103" @default.
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