期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 118, 期 9, 页码 4784-4790出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp4122408
关键词
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资金
- 7th Marie Curie ITN GENIUS program
- OPTI2MAT Excellence Program of Region Wallonne
- FNRS/FRFC
Ultraviolet and X-ray photoelectron spectroscopies in combination with density functional theory (DFT) calculations were used to study the change in the work function (Phi) of graphene, supported by quartz, as induced by adsorption of hexaazatriphenylene-hexacarbonitrile (HATCN). Near edge X-ray absorption fine structure spectroscopy (NEXAFS) and DFT modeling show that a molecular-density-dependent reorientation of HATCN from a planar to a vertically inclined adsorption geometry occurs upon increasing surface coverage. This, in conjunction with the orientation-dependent magnitude of the interface dipole, allows one to explain the evolution of graphene (Phi) from 4.5 eV up to 5.7 eV, rendering the molecularly modified graphene-on-quartz a highly suitable hole injection electrode.
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