Rational design of bifunctional ORR/OER catalysts based on Pt/Pd-doped Nb<sub>2</sub>CT<sub>2</sub> MXene by first-principles calculations
Dongxiao Kan, Dashuai Wang, Xilin Zhang, Ruqian Lian, Jing Xu, Gang Chen, Yingjin Wei
Abstract
Nb<sub>2</sub>CF<sub>2</sub>–V<sub>F</sub>–Pt is confirmed to be the best bifunctional catalyst toward ORR and OER, with relative low theoretical overpotentials (0.40 V for ORR and 0.37 V for OER).
Topics & Concepts
BifunctionalCatalysisDopingBifunctional catalystMaterials scienceChemistryPhysical chemistryOptoelectronicsOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques