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Phys Rev Lett. 2006 Feb 3;96(4):046806. Epub 2006 Feb 3.

Structural, electronic, and chemical properties of nanoporous carbon.

Author information

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany. johanc@fhi-berlin.mpg.de

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.

PMID:
16486871
DOI:
10.1103/PhysRevLett.96.046806
[PubMed]
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