Core Level Spectra of Organic Molecules Adsorbed on Graphene
We perform first principle calculations based on density functional theory to investigate the effect of the adsorption of core-excited organic molecules on graphene. We simulate Near Edge X-ray absorption Fine Structure (NEXAFS) and X-ray Photoemission Spectroscopy (XPS) at the N and C edges for two...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-03-01
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Series: | Materials |
Subjects: | |
Online Access: | http://www.mdpi.com/1996-1944/11/4/518 |