(7) Molecular dynamics (MD) simulations have proven invaluable in uncovering the molecular-level interaction within these systems. They provide a detailed examination of solvation structures, ion ...
This study integrates the Drude oscillator model into coarse-grained molecular dynamics simulations to capture features of ion solvation in polymers. Specifically, we treat coarse-grained beads as ...
Ion transport is the movement of ions across a membrane, passively through ion channels or actively through ion pumps such as symporters and antiporters. Iron and manganese are essential nutrients ...
Lithium-ion batteries are the backbone of mobile devices and electric cars, but lithium can be costly and explosive. Proton batteries—which rely on more abundant materials—have been touted as ...
Silicon-carbon (Si-C) batteries are said to transform electronic gadgets and the automobile industry significantly with their clear advantages over lithium-ion batteries which powered almost all ...
Dr. Guang Yang is an electrochemical material scientist with extensive experience in materials, devices, and advanced operando characterization tools development for next-generation batteries and ...