空心球壳状MoS_(2)/WS_(2)异质结构的制备及其电催化析氢性能  

Preparation and electrocatalytic hydrogen evolution performance of spherical hollow MoS_(2)/WS_(2)heterostructures

作　　者：王德志[1] 杨刘熠懿 刘若琦 郭挺 费浩 吴壮志[1] De-zhi WANG;Liu-yi-yi YANG;Ruo-qi LIU;Ting GUO;Hao FEI;Zhuang-zhi WU(School of Materials Science and Engineering,Central South University,Changsha 410083,China)

机构地区：[1]中南大学材料科学与工程学院,长沙410083

出　　处：《Transactions of Nonferrous Metals Society of China》2023年第5期1540-1549,共10页中国有色金属学报（英文版）

基　　金：the Natural Science Foundation of Hunan Province of China(No.2020JJ4730).

摘　　要：系统研究一种由空心WS_(2)球壳和花瓣状MoS_(2)组成的异质结构。结果表明,空心球壳结构使活性位点更容易暴露,异质结构的形成有助于激发WS_(2)和MoS_(2)之间的协同效应,从而提高析氢反应性能,具有更好的电子转移能力。更重要的是,密度泛函理论计算进一步阐明了协同机理,表明MoS_(2)/WS_(2)异质结构可有效调节氢吸附自由能,使之在W/Mo原子比为2꞉25时达到最小值。因此,优化后的WMo-2/25催化剂表现出优异的电催化析氢活性,Tafel斜率低,为53 mV/dec,并具有良好的稳定性。A heterostructure composed of spherical hollow WS_(2) and petal-like MoS_(2) was systematically studied.The results showed that the spherical hollow structures exposed more active sites,and the construction of heterostructures triggered the synergistic effect between WS_(2) and MoS_(2) and improved the hydrogen evolution reaction(HER)performances with better electron transfer ability.More importantly,the density functional theory calculations further clarified the synergistic mechanism,in which the MoS_(2)/WS_(2)heterostructure could effectively regulate the hydrogen adsorption free energy to achieve the minimum value with a W/Mo atomic ratio of 2:25.Consequently,the optimized WMo-2/25 catalyst exhibited superior electrocatalytic HER activity with a low Tafel slope of 53 mV/dec as well as good durability.

关 键 词：二硫化钼 二硫化钨 异质结构 析氢反应 密度泛函理论 

分 类 号：TQ116.2[化学工程—无机化工] TQ426