Constructing abundant interfaces by decorating MoP quantum dots on CoP nanowires to induce electronic structure modulation for enhanced hydrogen evolution reaction.

Interface engineering is a method of enhancing catalytic activity while maintaining a material's surface properties. Thus, we explored the interface effect mechanism a hierarchical structure of MoP/CoP/CuP/CF. Remarkably, the heterostructure MoP/CoP/CuP/CF demonstrates an outstanding overpotential of 64.

Effect of yttrium content in the LaYMgNi battery anode alloys on the structural, hydrogen storage and electrochemical properties.

The present work focuses on the studies of influence of yttrium on the crystal structure, hydrogenation properties and electrochemical behaviors of the PuNi-type LaYMgNi ( = 0.25; 0.50; 0.

A Theoretical Study of Fe Adsorbed on Pure and Nonmetal (N, F, P, S, Cl)-Doped TiCO for Electrocatalytic Nitrogen Reduction.

The possibility of using transition metal (TM)/MXene as a catalyst for the nitrogen reduction reaction (NRR) was studied by density functional theory, in which TM is an Fe atom, and MXene is pure TiCO or TiCO doped with N/F/P/S/Cl. The adsorption energy and Gibbs free energy were calculated to describe the limiting potentials of N activation and reduction, respectively. N activation was spontaneous, and the reduction potential-limiting step may be the hydrogenation of N to *NNH and the desorption of *NH to NH.

Freezing of Lennard-Jones fluid on a patterned substrate.

Using molecular dynamics simulations, we study freezing of Lennard-Jones particles at commensurate substrate with triangular pattern. Throughout the box particles freeze onto the substrate and form close-packed layers. For the moderately attractive substrates, an intermediate hexatic phase between liquid and crystal is detected in the first two layers where the hexatic-solid freezing process is continuous while, counterintuitively, the liquid-hexatic process is of first order.

Wall-induced phase transition controlled by layering freezing.

Molecular dynamics simulations of the Lennard-Jones model are used to study phase transitions at a smooth surface. Our motivation is the observation that the existence of an attractive wall facilitates crystallization. To investigate how this wall influences phase transitions, the strength of wall-particle interaction is varied in our studies.