Data-driven methods to predict the stability metrics of catalytic nanoparticles

• Main Authors: Prabhu, Asmee M., Choksi, Tej S.
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Chemical engineering; Chemical Stability; Catalytic Nanoparticle
• Online Access: https://hdl.handle.net/10356/165170
• Institution: Nanyang Technological University

A prevailing challenge in computational catalyst design is to discover nanostructures which are thermodynamically stable and synthesizable in practice. Important metrics for the stability of nanostructures include the chemical potential of supported nanoparticles, cohesive energies of nanoparticles,...