Hai-Tao Yan

Hydrogen bond cooperative effects and proton transfer barriers in water clusters: Implications for proton-conductive energy materials

In the context of new energy materials and hydrogen-based energy systems, understanding proton transfer (PT) mechanisms is critical for optimizing proton exchange membranes and hydrogen storage materials. This study investigates hydrogen bond (H-bond) cooperative energies and concerted intralayer proton transfer (CIntr...