First-principles studies on the electronic and photocatalytic water splitting properties of surface functionalized Y<sub>2</sub>C-based MXenes
Shengyi Zhang, Ni-Ping Shi, Chuan‐Kui Wang, Guang‐Ping Zhang
Abstract
C(OH)Cl (∼19.4%). Based on the first-principles calculations, we here for the first time propose an easy strategy to design Janus MXene photocatalyst candidates with possible high STH efficiency according to the electronic properties of their symmetric counterparts. Our study is helpful for the future design of Janus MXenes and more generally Janus 2D photocatalysts for water splitting with high STH efficiency.
Topics & Concepts
MXenesPhotocatalysisWater splittingMaterials scienceSurface (topology)NanotechnologyChemical physicsChemical engineeringChemistryCatalysisOrganic chemistryEngineeringMathematicsGeometryMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques2D Materials and Applications