Nanotube-based mixed-dimensional or one-dimensional heterostructures have attracted
great attention recently because of their unique physical properties and therefore potential …

As a potential catalyst of hydrogen evolution reaction (HER), molybdenum disulfide (MoS 2)
is known to have active sites at the edges, whereas its basal plane is inert. Thus activation of …

Liquid metals have recently emerged as promising catalysts that can outcompete their solid
counterparts for many reactions. Although theoretical modelling is extensively used to …

As a promising alternative to platinum, molybdenum disulfide (MoS 2) is widely utilized as
catalyst/co-catalyst in hydrogen evolution reaction (HER). However, its inactive basal plane …

Dynamic liquid metal catalysts have remarkable activity and selectivity toward certain
reactions, such as carbon dioxide reduction. The surface hydrogen coverage may play a …

The thermodynamics of hydrogen evolution on MoS2 nanotubes is studied for the first time
using periodic density functional theory calculations to obtain hydrogen adsorption free …

利用Gaussian 09 程序对团簇Mo 2 S 4 进行全参数的优化计算, 根据前线轨道理论对计算所得
的10 种稳定构型进行催化析氢反应活性的研究, 由前线轨道图及团簇Mo 2 S 4 …

摘摇要: 利用Gaussian 09 程序对团簇Mo2 S4 进行全参数的优化计算, 根据前线轨道理论对
计算所得的10 种稳定构型进行催化析氢反应活性的研究, 由前线轨道图及团簇Mo2 S4 …

An explicit potential model is applied to all thermodynamic states and kinetic barriers of the
hydrogen evolution reaction (HER) on Au (111) and graphene supported molybdenum …