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A New Wide Band Gap Form of Hydrogenated Graphene

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GraphITA 2011

Part of the book series: Carbon Nanostructures ((CARBON))

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Abstract

We propose a new form of partially hydrogenated graphene in which hydrogen atoms lay in para position to each other, forming a honeycomb-shaped superlattice. This arrangement is shown to be favored by progressive preferential sticking events, while its particular lattice symmetry guarantees the presence of a wide band gap. With the help of first principles DFT and many-body calculations we find this structure to be an insulator, similarly to graphane.

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Author information

Authors and Affiliations

  1. Dipartimento di Chimica Fisica ed Elettrochimica, Università à di Milano, via Golgi 19, 20133, Milan, Italy

    S. Casolo

  2. Dipartimento di Chimica Fisica ed Elettrochimica and CIMaINa, Università à di Milano, via Golgi 19, 20133, Milan, Italy

    G. F. Tantardini & R. Martinazzo

Authors
  1. S. Casolo
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  2. G. F. Tantardini
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  3. R. Martinazzo
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Corresponding author

Correspondence to S. Casolo .

Editor information

Editors and Affiliations

  1. , Dipartimento di Fisica, FISICA Università dell’Aquila (ITALY), Via Vetoio 10, Coppito-L'Aquila, 67100, Italy

    Luca Ottaviano

  2. CNR - IMM Sezione di Bologna, via Gobetti 101, Bologna, 40129, Italy

    Vittorio Morandi

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Casolo, S., Tantardini, G.F., Martinazzo, R. (2012). A New Wide Band Gap Form of Hydrogenated Graphene. In: Ottaviano, L., Morandi, V. (eds) GraphITA 2011. Carbon Nanostructures. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-20644-3_5

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