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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Applications of interfacial hydrogen bond networks in electrocatalytic reactions
Hong-Ling Chen1,2, Long Chen1,2, Lei Liu1,2
1College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan 410083, P. R. China. xq-qiu@csu.edu.cn.
Abstract:
Electrocatalytic conversion reactions of small molecules are core technologies for achieving sustainable energy conversion and environmental protection. The catalytic performance of these reactions is predominantly constrained by inefficient proton transport and suboptimal adsorption behavior of reaction intermediates at the catalyst-electrolyte interface. In recent years, modulating the interfacial hydrogen bond network to facilitate proton transfer processes and stabilize the adsorption of reaction intermediates in electrocatalytic reactions has garnered significant attention, with a growing body of related research. Rational regulation of the structure and connectivity of the hydrogen bond network plays a pivotal role in enhancing the activity and selectivity of electrocatalytic reactions. This review systematically summarizes the latest advances in interfacial hydrogen bond networks within the field of electrocatalysis. It first introduces current characterization techniques employed to investigate interfacial hydrogen bond networks, followed by an in-depth analysis of core strategies for modulating such networks. Subsequently, critical applications of the hydrogen bond network in electrocatalytic reactions are discussed. Finally, the challenges and future development directions of hydrogen bond networks in practical applications are prospected.
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