Based on DFT computations,we have systematically investigated the catalytic activity for the hydrogen evolution reaction(HER)on two-dimensional(2D)layered SnP_(3)-based systems.It is found that the monolayer SnP_(3) n...Based on DFT computations,we have systematically investigated the catalytic activity for the hydrogen evolution reaction(HER)on two-dimensional(2D)layered SnP_(3)-based systems.It is found that the monolayer SnP_(3) nanostructure can exhibit good HER activity,where the P atom with a near-zeroΔG_(H)*value serves as the most active site.展开更多
基金supported by the China by NSFC(21673094,21673093 and 21573090)the Science and Technology Research Program of Education Department of Jilin Province(JJKH20190121KJ)the Jilin Province Science and Technology Development Plan(20170101175JC).
文摘Based on DFT computations,we have systematically investigated the catalytic activity for the hydrogen evolution reaction(HER)on two-dimensional(2D)layered SnP_(3)-based systems.It is found that the monolayer SnP_(3) nanostructure can exhibit good HER activity,where the P atom with a near-zeroΔG_(H)*value serves as the most active site.
