Transition State Theory
Heterogeneous Catalysis
Predicting Reaction Outcomes
Reaction Mechanisms: Rate-limiting Step Approximation
Formation of Complex Ions
Complexation Equilibria: Overview
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Laure Bourgeois1, Nikhil V Medhekar, Andrew E Smith
1Monash Centre for Electron Microscopy, Monash University, Victoria 3800, Australia. laure.bourgeois@monash.edu
Atomic-scale imaging reveals a diffuse interface between Al-Cu phases, challenging previous studies. Efficient kinetics, not energy, drives the Al-Cu solid solution to θ
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