Interaction of Graphene ribbon with atmospheric chemical species

Abstract

CO desorption from graphene ribbons is an important process in interaction of atmospheric radical with graphene. This study examines how the size of the graphene ribbon affects the chemistry of the CO desorption process by using Density Functional Theory. Two aspects of the size dependence were examined, namely the energy gap between the electronic low spin ground state and its high spin excited state and the fluctuation of the energy profiles of CO desorption reactions in the ground state.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Apr 14, 2017
Accession Number
AD1046054

Entities

People

  • Huynh Kim Lam

Organizations

  • Institute for Computational Science and Technology

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Research Laboratories
  • Carbonyl Complexes
  • Chemistry
  • Computational Science
  • Density Functional Theory
  • Department Of Defense
  • Desorption
  • Electronic States
  • Energy
  • Energy Gaps
  • Graphene
  • Ground State
  • Military Research
  • Potential Energy
  • Surface Plasmon Resonance

Fields of Study

  • Physics

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Nanocomposite Materials Science
  • Plasma Physics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene