Ni nanocatalysts modified with a Mo dopant and a graphene support have been used as a low cost catalyst with Pt-like activity and robust durability for hydrogen evolution from the hydrolysis of ammonia borane under ambient atmosphere at room temperature.
The stoichiometric tritungsten oxide cluster (W3O9) deposited on the TiO2(110) surface has been investigated using first-principles density functional theory calculations. Various possible configurations mainly derived from molecular dynamics simulations have been considered. On the basis of the comparisons of thermodynamic stability and STM images, two isoenergetic structures with chirality relationship between the geometries of W3O9 clusters can be tentatively assigned to be the most likely configurations under the experimental conditions, in which five new bonds including three Ti−O and two W−O bonds are formed at the interface. Due to the loss of three WO groups, the low chemical reactivity of the W3O9 cluster can be expected. After deposition of W3O9, the TiO2(110) surface still retains the semiconducting character and the charge transfer occurring between the cluster and the substrate is small. The variation of surface dipole moment is sensitive to the orientation of the six-membered ring structure of W3O9. In addition, our results indicate that the properties of the TiO2(110) surface may be adjusted by deposition of nonstoichiometric tungsten oxides.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.