Theory and computation articles within Nature Communications

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• Article | 24 January 2012

  Chemical structures of hydrazine-treated graphene oxide and generation of aromatic nitrogen doping

  Parket al. use ¹³C and ¹⁵N solid-state NMR and X-ray photoelectron spectroscopy to study the chemical structure of hydrazine-treated graphite oxide. Hydrazine treatment is shown to lead to the incorporation of aromatic N₂moieties at the graphene edges and restore graphitic networks on the basal planes.

  • Sungjin Park
  • , Yichen Hu
  •  & Rodney S. Ruoff

• Article | 06 December 2011

  Band structure engineering in (Bi_1−xSb_x)₂Te₃ ternary topological insulators

  The unique band structure of topological insulators gives rise to insulating bulk and unusual metallic surface properties. By tuning the content of Sb in the ternary compound (Bi_1–xSb_x)₂Te₃, Wang and collaborators show it is possible to control the precise features of the band structure in a continuous fashion.

  • Jinsong Zhang
  • , Cui-Zu Chang
  •  & Yayu Wang

• Article | 29 November 2011

  Charge density waves in the graphene sheets of the superconductor CaC₆

  Charge density waves in the structure and electron density of layered materials are closely linked to superconductivity. Using scanning tunnelling techniques, Rahnejatet al. demonstrate the occurrence of such waves in the doped graphene sheets of the superconductor CaC₆.

  • K.C. Rahnejat
  • , C.A. Howard
  •  & M. Ellerby

• Article | 28 June 2011

  Imaging local electronic corrugations and doped regions in graphene

  The unoccupied electronic levels of graphene are modified by corrugation, doping and presence of impurities. Here, the authors map discrete electronic domains within a single graphene sheet using scanning transmission X-ray microscopy and provide insight into the modification of unoccupied levels.

  • Brian J. Schultz
  • , Christopher J. Patridge
  •  & Sarbajit Banerjee

• Article
  02 November 2010 | Open Access

  Dimensionality-driven insulator–metal transition in A-site excess non-stoichiometric perovskites

  Many technological applications would benefit from new ways of bringing complex materials near the insulator–metal transition region. The authors induce, in a Lantanum Strontium Titanate, a transition from insulating to metallic behaviour by structural intercalation of intrinsically insulating units, opening new avenues to engineer these materials.

  • Zhongchang Wang
  • , Masaki Okude
  •  & Yuichi Ikuhara