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Structural Repair of Reduced Graphene Oxide Promoted by Single‐Layer Graphene.

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Název: Structural Repair of Reduced Graphene Oxide Promoted by Single‐Layer Graphene.
Autoři: Guo, Minghao, Yuan, Hong, Ni, Kun, Ye, Chuanren, Pan, Fei, Xiong, Juan, Zhu, Yanwu
Zdroj: Advanced Science; 2/17/2025, Vol. 12 Issue 7, p1-8, 8p
Témata: GRAPHENE oxide, MOLECULAR dynamics, GRAPHENE, RAMAN spectroscopy, ENERGY consumption
Abstrakt: High‐temperature graphitization of graphene oxide (GO) is a crucial step for enhancing interlayer stacking and repairing the in‐plane defects of reduced graphene oxide (rGO) films. However, the fine control of the structural repair and reducing the energy consumption in thermal treatment remain challenges. In this study, ab‐initio molecular dynamics simulations combined with experiments are used to investigate the structural evolution of rGO upon thermal annealing, with or without the presence of single‐layer graphene (SLG). It is found that the SLG promotes the repair of the carbon honeycombed matrix and alleviates the release of carbon‐containing groups during graphitization. Further electronic analysis reveals the crucial role of charge transfer from SLG to defective graphene in strengthening the C─C bonds. The result of Raman spectroscopy matches with the simulation, demonstrating an improved repairing degree of rGO upon contacting with SLG. This study provides a deeper understanding of the graphitization and repair mechanism of rGO, which may be useful for the highly efficient preparation of high‐quality graphene films. [ABSTRACT FROM AUTHOR]
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Databáze: Complementary Index
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Abstrakt:High‐temperature graphitization of graphene oxide (GO) is a crucial step for enhancing interlayer stacking and repairing the in‐plane defects of reduced graphene oxide (rGO) films. However, the fine control of the structural repair and reducing the energy consumption in thermal treatment remain challenges. In this study, ab‐initio molecular dynamics simulations combined with experiments are used to investigate the structural evolution of rGO upon thermal annealing, with or without the presence of single‐layer graphene (SLG). It is found that the SLG promotes the repair of the carbon honeycombed matrix and alleviates the release of carbon‐containing groups during graphitization. Further electronic analysis reveals the crucial role of charge transfer from SLG to defective graphene in strengthening the C─C bonds. The result of Raman spectroscopy matches with the simulation, demonstrating an improved repairing degree of rGO upon contacting with SLG. This study provides a deeper understanding of the graphitization and repair mechanism of rGO, which may be useful for the highly efficient preparation of high‐quality graphene films. [ABSTRACT FROM AUTHOR]
ISSN:21983844
DOI:10.1002/advs.202410088