Theoretical Modelling and Facile Synthesis of a Highly Active Boron-Doped Palladium Catalyst for the Oxygen Reduction Reaction

• Main Authors: Vo Doan, Tat Thang, Wang, Jingbo, Poon, Kee Chun, Tan, Desmond Chun Long, Khezri, Bahareh, Webster, Richard David, Su, Haibin, Sato, Hirotaka
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2017
• Subjects: Electrocatalysts; Density Functional Theory
• Online Access: https://hdl.handle.net/10356/85999; http://hdl.handle.net/10220/43911
• Institution: Nanyang Technological University

A highly active alternative to Pt electrocatalysts for the oxygen reduction reaction (ORR), which is the cathode-electrode reaction of fuel cells, is sought for higher fuel-cell performance. Our theoretical modelling reveals that B-doped Pd (Pd-B) weakens the absorption of ORR intermediates with nea...