Chemical transformations and transport phenomena at interfaces
Abstract
Interfaces, the boundary that separates two or more chemical compositions and/or phases of matter, alters basic chemical and physical properties including the thermodynamics of selectivity, transition states, and pathways of chemical reactions, nucleation events and phase growth, and kinetic barriers and mechanisms for mass transport and heat transport. While progress has been made in advancing more interface‐sensitive experimental approaches, their interpretation requires new theoretical methods and models that in turn can further elaborate on the microscopic physics that make interfacial chemistry so unique compared to the bulk phase. In this review, we describe some of the most recent theoretical efforts in modeling interfaces, and what has been learned about the transport and chemical transformations that occur at the air–liquid and solid–liquid interfaces.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 18, 2022
- Source ID
- 10.1002/wcms.1639
Entities
People
- Hongxia Hao
- Jin Qian
- Luis Ruiz Pestana
- Meili Liu
- Qiang Xu
- Teresa Head-Gordon
Organizations
- Air Force Office of Scientific Research
- Lawrence Berkeley National Laboratory
- National Science Foundation
- Office of Basic Energy Sciences
- University of California
- University of Miami