Jianrui Zhang, a researcher focusing on electrolyte systems in electrochemical energy applications, including both electrocatalysis and batteries. My work aims to understand how organic and polymeric components shape the microstructure and local environment of electrolytes, and how these features govern transport behavior and interfacial properties.
My research primarily employs classical molecular dynamics (MD) and Monte Carlo (MC) simulations to investigate ion transport, molecular organization, and interfacial structures in complex electrolyte systems. I am particularly interested in systems containing organic additives, solvents, or polymer matrices, where the collective configuration of molecules plays a critical role in determining macroscopic performance.
More broadly, my goal is to establish clear relationships between structure, transport, and performance in electrolyte systems, and to provide theoretical insights that support the rational design of advanced materials for energy storage and conversion.