Water molecules confined to low‐dimensional spaces exhibit unusual properties compared
to bulk water. For example, the alternating hydrophilic and hydrophobic nanodomains on flat …

Anisotropic surface properties of minerals play an important role in a variety of fields. With a
focus on the two most intensively investigated silicate minerals (ie, phyllosilicate minerals …

We perform molecular dynamics simulations to observe the structure and dynamics of water
using different water models (TIP3P, TIP4P, TIP5P) at ambient conditions, constrained by …

Deciphering the mechanisms of charge storage on carbon-based materials is pivotal for the
development of next-generation electrochemical energy storage systems. Graphene, the …

While individual water molecules adsorb strongly on a talc surface (hydrophilic behavior), a
droplet of water beads up on the same surface (hydrophobic behavior). To rationalize this …

Hydrophobic solid surfaces have been found to promote the formation of gas hydrates
effectively and thus help to realize the immense potential applications of hydrates in many …

Understanding the wettability of clay mineral surfaces is crucial for enhancing oil recovery,
investigating primary migration of hydrocarbon, and evaluating the performance of sealing …

Three new structural models of montmorillonite with differently distributed Al/Si and Mg/Al
substitutions in the tetrahedral and octahedral clay layers are systematically developed and …

Water confined in nanoscopic pores is essential in determining the energetics of many
physical and chemical systems. Herein, we report a recently discovered unconventional …

Interfacial water properties at the alumina surface were investigated via all-atom equilibrium
molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated …