Stability of graphene oxide phases from first-principles calculations
Abstract
We determine the energy diagram of graphene oxides (GOs) as a function of oxygen and hydrogen chemical potentials by systematic first-principles calculations. The diagram reveals that thermodynamically stable GOs can exist only in stringent growth conditions in the form of hydroxyl, epoxy, or mixed hydroxyl/epoxy phases. There is no mixed phase with s{p}^{2}carbon because of substrate relaxation, which is unique to two-dimensional system with...
Paper Details
Title
Stability of graphene oxide phases from first-principles calculations
Published Date
Oct 8, 2010
Journal
Volume
82
Issue
16
Pages
161406
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History