collaborators

1 paper

cond-mat.mtrl-sci2025

CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics

Jihong Shi, Tao Zhang, Shuyu Sun +1

Understanding interfacial phenomena in confined systems is important for optimizing CO2 capture technologies. Here, we present a comprehensive investigation of CO2 adsorption in hy…