• Open Access

Structural, Electronic, and Chemical Properties of Nanoporous Carbon

Johan M. Carlsson and Matthias Scheffler
Phys. Rev. Lett. 96, 046806 – Published 3 February 2006

Abstract

Nanoporous carbon (NPC) exhibits unexplained chemical properties, making it distinct from other graphenelike materials, such as graphite, fullerenes, or nanotubes. In this Letter, we analyze the properties of NPC in terms of its structural motifs, which are derived from defects in distorted graphene sheets. Our density-functional theory calculations show that these motifs can be present in high concentration (up to 1%). Some of them induce localized levels close to the Fermi level, therefore leading to local charging and controlling the material’s chemical function, for example, as a catalyst.

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  • Received 24 March 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.046806

This article is available under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.

Authors & Affiliations

Johan M. Carlsson* and Matthias Scheffler

  • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

  • *Electronic address: johanc@fhi-berlin.mpg.de
  • Electronic address: scheffler@fhi-berlin.mpg.de

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Vol. 96, Iss. 4 — 3 February 2006

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