Orbital occupancy and spin polarization: from mechanistic study to rational design of transition metal-based electrocatalysts toward energy applications

• Main Authors: Do, Viet-Hung, Lee, Jong-Min
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Chemical engineering; Orbital Occupancy; Spin Polarization
• Online Access: https://hdl.handle.net/10356/164682
• Institution: Nanyang Technological University

Over the past few decades, development of electrocatalysts for energy applications has extensively transitioned from trial-and-error methodologies to more rational and directed designs at the atomic levels via either nanogeometric optimization or modulating electronic properties of active sites. Reg...