Nanobubble Nucleation and Dissolution Near the Anatase (101)-Water Interface.

Area of Science:

• Physical Chemistry
• Surface Science
• Computational Materials Science

Background:

• Nanoscale bubbles form at electrode-liquid interfaces in electrochemical systems, impacting transport and reactivity.
• The influence of the solid-liquid interface on nanobubble evolution at the microscopic level is not well understood.

Purpose of the Study:

• Investigate nanobubble nucleation, dissolution, and detachment at the anatase (101)-water interface.
• Elucidate the role of the solid-liquid interfacial microenvironment in governing nanobubble dynamics.
• Provide insights into bubble management for energy conversion systems.

Main Methods:

• Deep potential molecular dynamics simulations with enhanced sampling.
• Modeling using the Epstein-Plesset equation.
• Experimental validation via nanoparticle tracking analysis and dynamic light scattering.

Main Results:

• Anatase (101) surface sites promote water dissociation, altering local ionic environments and creating negative zeta potentials on nanobubbles.
• Nanobubble dissolution barriers correlate linearly with zeta potential magnitude, influenced by ion screening (e.g., NaCl).
• Nucleation barriers increase with the anatase surface but are less sensitive to pH; salting-out effects lower barriers in saline systems.

Conclusions:

• The solid-liquid interface significantly modulates nanobubble evolution through surface chemistry and ionic interactions.
• Zeta potential and ionic screening are key factors controlling nanobubble dissolution.
• Understanding these interfacial phenomena is critical for optimizing bubble behavior in electrochemical energy systems.