Boosting the photocatalytic hydrogen evolution performance of monolayer C<sub>2</sub>N coupled with MoSi<sub>2</sub>N<sub>4</sub>: density-functional theory calculations
Jian Zeng, Liang Xu, Youwen Yang, Xin Luo, Hongju Li, Sizheng Xiong, Lingling Wang
Abstract
C<sub>2</sub>N/MoSi<sub>2</sub>N<sub>4</sub> is shown to be a perfect photocatalyst for splitting water to create hydrogen.
Topics & Concepts
Density functional theoryPhotocatalysisHydrogenMonolayerWater splittingBoosting (machine learning)Materials scienceChemical physicsPhysical chemistryNanotechnologyCondensed matter physicsComputational chemistryChemistryPhysicsCatalysisQuantum mechanicsComputer scienceMachine learningBiochemistryAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials2D Materials and Applications