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theCr-dopingaffectedtheO2adsorptionprocesssignificantlybecauseCr–ObondswereimportanttothechemisorptionsofO2.Furthermore,thepartialelectronicdensityofstates(PDOS)indicatedthathybridizationbetweenOandCratomswasmainlycontributedfromtheO-2pandCr-3dorbitals.&2014ElsevierB.V.Allrightsreserved.1.IntroductionCarbon...
Higher conductivities can be obtained by simply increasing n and/or the electrical mobility μ. For example, in n-type TCOs, the oxygen vacancies constitute one of the main defects inducing high carrier concentrations. The hybridization of s-orbitals—that compose mainly the conduction band minimum...
The larger overlap parts of the C-2p orbital, Cr-3d orbital, and Cr-4s orbital are observed around the 0 eV, signifying the close interaction between Cr atom and graphene due to the strong hybridization of these orbitals. Figure 6. The TDOS (a) and PDOS (b) of CrG system at T ...
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