Adsorption of NH2 on Graphene in the Presence of Defects and Adsorbates
NAVAL RESEARCH LAB WASHINGTON DC
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Amine, NH2, is of interest as a linker between organic molecules and graphene in novel biotechnologies. We used ab initio electronic structure calculations to study NH2 adsorption on graphene in the presence of surface defects and other adsorbates, including N, B, F, H, and OH. Amine is found to form a semi-ionic bond of 0.778 eV on pristine graphene. Its binding is found to be modified near other defects, and the adsorption energy is dependent on the neighbor order.
- Organic Chemistry
- Physical Chemistry
- Miscellaneous Materials