Graphene oxide has proton conductivity and can be used as a high-performance solid electrolyte in fuel cells, flow batteries, etc. However, the mechanism of proton conduction on the surface of graphene oxide is still unclear, which hinders the proton exchange materials based on graphene oxide. Further development.
The New Energy Storage and Energy Conversion Nanomaterials Research Center of the School of Electrical Engineering, Xi'an Jiaotong University applied the reaction molecular dynamics method to systematically investigate the proton transport behavior on the surface of graphene oxide in the presence of water molecules. Studies have shown that both epoxy groups and hydroxyl groups on the surface of graphene oxide can effectively adsorb water molecules to form a hydrogen bond network, and protons can be transported through the hydrogen bond network between adjacent or non-adjacent hydroxyl groups with a lower energy barrier. In comparison, the epoxy group has weak proton conductivity, and it is difficult to observe the spontaneous proton transmission process. This work shows that increasing the hydroxyl content of graphene oxide can increase its proton conductivity. Relevant achievements were published in the "material chemistry", an authoritative journal in the field of materials, entitled "Revealing the mechanism of proton conduction through the water molecules on the surface of graphene oxide". The work was completed by the New Energy Storage and Energy Conversion Nanomaterials Research Center, and Professor Shi Le was the first and corresponding author of the article. Xi'an Jiaotong University is the first author unit and corresponding author unit of this article. The research was supported by projects such as the National Natural Science Foundation of China and the Xi’an Jiaotong University Youth Top Talent Support Program, and related calculations were completed on the Xi’an Jiaotong University’s high-performance computing platform.
The New Energy Storage and Conversion Nanomaterials Research Center (http://cne.xjtu.edu.CN) aims at the forefront of new energy technology development, focusing on the research direction of new energy storage and energy conversion nanomaterials. The basic research work of chemical characteristics-nano-preparation technology is the core, and the research and implementation of new energy conversion and energy storage system demonstration projects drive the development and construction of the electrical engineering discipline to achieve theoretical innovation and research method innovation in this field.
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