Rational design of M–N<sub>4</sub>–Gr/V<sub>2</sub>C heterostructures as highly active ORR catalysts: a density functional theory study
Yunjian Chen, Qi Jiang, Xue Bai, Pengyue Shan, Tong Liu, Yazhou Wang, Hong Cui, Rong Feng, Qin Kang, Zhiyong Liang, Hongkuan Yuan
Abstract
groups and the graphene layers. This study further provides insights into the practical application of ORR catalysts for MXene systems through the modulation of the electronic structure of two-dimensional materials.
Topics & Concepts
Density functional theoryCatalysisRational designHeterojunctionChemistryMaterials scienceComputational chemistryPhysical chemistryNanotechnologyOptoelectronicsOrganic chemistryMXene and MAX Phase MaterialsAdvancements in Battery MaterialsElectrocatalysts for Energy Conversion