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.
作者
王德志
杨刘熠懿
刘若琦
郭挺
费浩
吴壮志
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)
基金
the Natural Science Foundation of Hunan Province of China(No.2020JJ4730).
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
molybdenum disulfide
tungsten disulfide
heterostructures
hydrogen evolution reaction
density functional theory
