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The nature of electron lone pairs in
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10.1063/1.3593012
/content/aip/journal/apl/98/21/10.1063/1.3593012
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/21/10.1063/1.3593012
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) The diffuse reflectance spectrum of monoclinic . A linear extrapolation to the baseline was used to determine the onset of the conduction band (i.e., ). (b) The -edge XES (solid line) and core-hole corrected TEY-mode -edge XAS (dashed line) spectra of . The derivatives (solid and dashed lines) are plotted underneath, along with the energetic separation between their edges (i.e., ).

Image of FIG. 2.
FIG. 2.

(a) The - and -edge PFY-mode XAS. The excitation energies for the emission processes are identified by blue asterisks. (b) The experimental XPS, and core-level shifted XES are plotted with the calculated pDOS underneath (cross-sectioned weighted). Also shown alongside the experimental data are the corresponding Gaussian broadened (full width half ) DOS (dashed lines).

Image of FIG. 3.
FIG. 3.

The above threshold -edge XES (blue filled circles) as a function of photon energy. The at , also excited by the excitation of the -edge, is identified. The region has been curve-fitted using four Voigt functions to mimic the four peaks in the calculated pDOS. The inset displays the magnified region to show the bonding state at .

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/content/aip/journal/apl/98/21/10.1063/1.3593012
2011-05-26
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The nature of electron lone pairs in BiVO4
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/21/10.1063/1.3593012
10.1063/1.3593012
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