首页|Unveiling spin magnetic effect of TM doped SnS2 nanosheet with enhanced hydrogen evolution reaction
Unveiling spin magnetic effect of TM doped SnS2 nanosheet with enhanced hydrogen evolution reaction
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Photoelectrochemical hydrogen evolution reaction(HER)is taken into account as an alternative to effec-tive hydrogen production,emphasizing the importance of catalysts.The magnetism of catalysts could modulate the adsorption of the H atom and further enhance the HER activity.Herein,doping the double transition metal atoms on SnS2 nanosheet(TM2@SnS2)to form the efficient magnetic catalyst is proposed to explore the spin magnetic effect on the HER performance.By performing first-principles calculations,nonmagnetic V2@SnS2 is proved to be the candidate of the HER catalyst;nevertheless,the HER activities of antiferromagnetic and ferromagnetic V2@SnS2 are relatively inferior due to the spin-induced charge redistribution.Meanwhile,machine learning analysis shows the absolute importance of the electronic structure of TM dopants and surrounding S ligands,and the HER activity could be predicted by the mod-ified band centers of S-3pz and TM-d.Furthermore,the proof-of-concept experiment has substantiated the above theoretical predictions by significantly increasing liner sweep voltammetry and photocurrent with applied magnetic field.This work provides a new avenue for uncovering the spin catalytic mecha-nism and the exploration and design of efficient HER catalysts.
Density functional theoryHydrogen evolution reactionTin sulfideTransition metal dopingMachine learning
Department of Applied Physics,Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology,School of Science,Tianjin University,Tianjin 300072,China
College of Physics and Materials Science,Tianjin Normal University,Tianjin 300387,China
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