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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…
cond-mat.mtrl-sci2024★ 5 cited
Unveiling the Face-Dependent Ice Growth Kinetics: Insights from Molecular Dynamics on the Basal and Prism Surfaces
Jihong Shi, Maxwell Fulford, Matteo Salvalaglio +1
Ice nucleation and growth are critical in many fields, including atmospheric science, cryobiology, and aviation. However, understanding the detailed mechanisms of ice crystal growt…