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Updated: May 8, 2026

Scalable Syntheses of Graphene Oxide and Reduced Graphene Oxide using Cascade Design Oxidation and Highly Basic Reduction Reactions
Published on: July 3, 2025
Diffusion and desorption of oxygen atoms on graphene
Yafei Dai1, Shuang Ni, Zhenyu Li
1Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China. School of Physics Science and Technology and Jiangsu Key Laboratory for NSLSCS,Nanjing Normal University, Nanjing, Jiangsu 210023, People's Republic of China.
Abstract:
To understand the reversible oxidation of graphene in a recent experiment, a density-functional theory study is performed. The adsorption energy of isolated oxygen atom on graphene is 2.3 eV, indicating a strong interaction between them. However, the migration barrier of oxygen atoms on graphene is only 0.8 eV and oxygen diffusion is still possible. Provided with this possibility, we find that, although a single oxygen atom is very difficult to desorb, cooperative desorption of two oxygen atoms is feasible.
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