Accession Number:

ADA591478

Title:

Adsorption of NH2 on Graphene in the Presence of Defects and Adsorbates

Descriptive Note:

Journal article

Corporate Author:

NAVAL RESEARCH LAB WASHINGTON DC

Report Date:

2013-02-05

Pagination or Media Count:

7.0

Abstract:

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.

Subject Categories:

  • Organic Chemistry
  • Physical Chemistry
  • Miscellaneous Materials
  • Mechanics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE