Two-dimensional nucleation and growth mechanism explaining graphene oxide structures

Manh-Thuong Nguyen, Rolf Erni, and Daniele Passerone
Phys. Rev. B 86, 115406 – Published 5 September 2012
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Abstract

Using first-principles calculations accompanied by experimental data, we present a study on the structural evolution of graphene during oxidation to form partially oxidized graphene oxide. Our simulations show that local distortions in graphene induced by bond formation with adatoms indirectly lead to a “symbiotic” behavior of co-adsorbed oxygen atoms. Namely, the adatoms tend to mutually stabilize the adsorption and possibly migrate on graphene in groups of some small number of atoms. These theoretical results provide an explanation for the experimentally observed structures of graphene oxide.

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  • Received 26 April 2012

DOI:https://doi.org/10.1103/PhysRevB.86.115406

©2012 American Physical Society

Authors & Affiliations

Manh-Thuong Nguyen*

  • The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, I-34151 Trieste, Italy

Rolf Erni

  • Electron Microscopy Center, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf, Switzerland

Daniele Passerone

  • nanotech@surfaces, Empa, Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf, Switzerland

  • *mtnguyen@ictp.it

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Issue

Vol. 86, Iss. 11 — 15 September 2012

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