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

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.

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Document Details

Document Type
Technical Report
Publication Date
Feb 05, 2013
Accession Number
ADA591478

Entities

People

  • Chad E. Junkermeier
  • Dmitry Solenov
  • Thomas L. Reinecke

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Atoms
  • Biotechnology
  • Charge Transfer
  • Chemistry
  • Computational Chemistry Methods
  • Computational Science
  • Covalent Bonds
  • Density Functional Theory
  • Electrons
  • Fermi Levels
  • Graphene
  • Ionic Bonds
  • Materials Science
  • Molecules
  • Physical Chemistry
  • Subatomic Particles
  • Surface Chemistry

Fields of Study

  • Physics

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Quantum Chemistry
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Biotechnology
  • Microelectronics
  • Microelectronics - Graphene