Article ID Journal Published Year Pages File Type
5379100 Chemical Physics Letters 2016 18 Pages PDF
Abstract
⿢DFT + van der Waals (vdW) study of donor/acceptor interface between C60 and ZnPc.⿢Similar adsorption properties of ZnPc/C60 interface by different vdW corrections.⿢Presence of adsorption induced dipole at C60/ZnPc interface is found.⿢Magnitude and direction of interface dipole depend on the interface charge transfer.⿢Charge transfer is the main mechanism of dipole formation at C60/ZnPc interface.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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