Cover Picture: Electrocatalytically Switchable CO2 Capture: First Principle Computational Exploration of Carbon Nanotubes with Pyridinic Nitrogen (ChemSusChem 2/2014)

Authors

  • Dr. Yan Jiao,

    1. School of Chemical Engineering, the University of Queensland, QLD 4072, Brisbane (Australia)
    2. Australian Institute for Bioengineering and Nanotechnology (AIBN), The University of Queensland, QLD 4072, Brisbane (Australia)
    3. Current address: School of Chemical Engineering the University of Adelaide, SA 5005 (Australia)
    Search for more papers by this author
  • Yao Zheng,

    1. Australian Institute for Bioengineering and Nanotechnology (AIBN), The University of Queensland, QLD 4072, Brisbane (Australia)
    Search for more papers by this author
  • Prof. Sean C. Smith,

    Corresponding author
    1. Center for Nanophase Materials Sciences (CNMS), Oak Ridge National Laboratory, Oak Ridge, TN 37831 (USA)
    • Sean C. Smith, Center for Nanophase Materials Sciences (CNMS), Oak Ridge National Laboratory, Oak Ridge, TN 37831 (USA)

      Aijun Du, School of Chemistry, Physics, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4001 (Australia)

      Zhonghua Zhu, School of Chemical Engineering, the University of Queensland, QLD 4072, Brisbane (Australia)

    Search for more papers by this author
  • Prof. Aijun Du,

    Corresponding author
    1. School of Chemistry, Physics, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4001 (Australia)
    • Sean C. Smith, Center for Nanophase Materials Sciences (CNMS), Oak Ridge National Laboratory, Oak Ridge, TN 37831 (USA)

      Aijun Du, School of Chemistry, Physics, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4001 (Australia)

      Zhonghua Zhu, School of Chemical Engineering, the University of Queensland, QLD 4072, Brisbane (Australia)

    Search for more papers by this author
  • Prof. Zhonghua Zhu

    Corresponding author
    1. School of Chemical Engineering, the University of Queensland, QLD 4072, Brisbane (Australia)
    • Sean C. Smith, Center for Nanophase Materials Sciences (CNMS), Oak Ridge National Laboratory, Oak Ridge, TN 37831 (USA)

      Aijun Du, School of Chemistry, Physics, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4001 (Australia)

      Zhonghua Zhu, School of Chemical Engineering, the University of Queensland, QLD 4072, Brisbane (Australia)

    Search for more papers by this author

Abstract

original image

Carbon nanotubes/graphene with specific nitrogen doping can contribute to a controllable, highly selective, and reversible CO2 capture, as illustrated by the front cover image. Carbon recycling represents a fundamental aspect of the global carbon balance, with CO2 capturing the first key concept of this cycle. Prof. Zhonghua Zhu and co-workers use long range dispersion-corrected density functional theory calculations to reveal that pyridinic nitrogen on carbon nanotubes/graphene leads to an increased CO2 adsorption strength in the presence of injected electrons, and, hence, a highly selective adsorption of CO2 over N2. This functionality can induce intrinsically reversible CO2 adsorption by switching the charge carrying state of the system on/off. More detail is given in the Full Paper by Jiao et al. on page 435, while more information about the research group is available in the Cover Profile (DOI: 10.1002/cssc.201301349).

Ancillary