4.8 Article

Stable three-dimensional metallic carbon with interlocking hexagons

Publisher

NATL ACAD SCIENCES
DOI: 10.1073/pnas.1311028110

Keywords

carbon materials; metallicity; stability electronic structure

Funding

  1. National Natural Science Foundation of China [NSFC-1174014, NSFC21273012, NSFC-10990104, NSFC-11334008]
  2. National Grand Fundamental Research 973 Program of China [2012CB921404]
  3. Department of Energy, Office of Basis Energy Sciences
  4. Materials Sciences and Engineering [FG02-96ER45579]

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Design and synthesis of 3D metallic carbon that is stable under ambient conditions has been a long-standing dream. We predict the existence of such phases, T6-and T14-carbon, consisting of interlocking hexagons. Their dynamic, mechanical, and thermal stabilities are confirmed by carrying out a variety of state-of-theart theoretical calculations. Unlike the previously studied K4 and the simple cubic high pressure metallic phases, the structures predicted in this work are stable under ambient conditions. Equally important, they may be synthesized chemically by using benzene or polyacenes molecules.

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