Utlra-fast hydrolysis performance of MgH_(2) catalyzed by Ti-Zr-Fe-Mn-Cr-V high-entropy alloys  

作　　者：Jinting Chen Tingting Xu Zeyu Zhang Jinghan Zhang Haixiang Huang Bogu Liu Yawei Li Jianguang Yuan Bao Zhang Ying Wu 

机构地区：[1]School of Energy,Power and Mechanical Engineering,North China Electric Power University,Beijing 102206,China [2]Institute of Energy Power Innovation,North China Electric Power University,Beijing 102206,China

出　　处：《Journal of Energy Chemistry》2024年第11期77-86,共10页能源化学（英文版）

基　　金：financed by the National Key Research and Development Program of China [2022YFB3803703];the National Natural Science Foundation of China [52071141, 52271212, 52201250, 51771056];the Interdisciplinary Innovation Program of North China Electric Power University [XM2112355]。

摘　　要：Hydrogen energy is one of the ideal energy alternatives and the upstream of the hydrogen industry chain is hydrogen production,which can be achieved via the reaction of inorganic materials with water,known as hydrolysis.Among inorganic materials,the high hydrogen capacity for hydrolysis of MgH_(2)(15.2 wt%)makes it a promising material for hydrogen production via hydrolysis.However,the dense Mg(OH)_(2) passivation layer will block the reaction between MgH_(2) and the solution,resulting in low hydrogen yield and sluggish hydrolysis kinetics.In this work,the hydrogenyield and hydrogen generation rate of MgH_(2) are considerably enhanced by adding Ti-Zr-Fe-Mn-Cr-V high-entropy alloys(HEAs) for the first time.In particular.the MgH_(2)-3 wt% TiZrFe_(1.5)MnCrV_(0.5)(labelled as MgH_(2)-3 wt% Fe_(1.5)) composite releases 1526.70 mL/g H_(2) within 5 min at 40℃,and the final hydrolysis conversion rate reaches 95.62% within 10 min.The mean hydrogen generation rate of the MgH_(2)-3 wt% Fe_(1.5) composite is 289.16 mL/g/min,which is 2.38 times faster than that of pure MgH_(2).Meanwhile,the activation energy of the MgH_(2)-3 wt% Fe_(1.5) composite is calculated to be 12.53 kJ/mol. The density functional theory(DFT) calculation reveals that the addition of HEAs weakens the Mg-H bonds and accelerates the electron transfer between MgH_(2) and HEAs,Combined with the cocktail effect of HEAs as well as the formation of more interfaces and micro protocells,the hydrolysis performance of MgH_(2) is considerably improved.This work provides an appealing prospect for real-time hydrogen supply and offers a new effective strategy for improving the hydrolysis performance of MgH_(2).

关 键 词：Mg-based materials High-entropy alloys HYDROLYSIS Hydrogen generation Cocktail effect CATALYSIS 

分 类 号：TQ116.21[化学工程—无机化工] TQ426