Wei Chen

TL;DR: Experimental results and theoretical calculations indicate that Ni3S2/NF's excellent catalytic activity is mainly due to the synergistic catalytic effects produced in it by its nanosheet arrays and exposed {2̅10} high-index facets.

TL;DR: A one-step facile synthesis of a novel precious-metal-free hydrogen-evolution nanoelectrocatalyst that is composed of ultrasmall molybdenum carbide (Mo2 C) nanoparticles embedded within nitrogen-rich carbon (NC) nanolayers that shows remarkable catalytic activity, has great durability, and gives about 100 % Faradaic yield toward the hydrogen-Evolution reaction (HER) over a wide pH range.

TL;DR: In this paper, the catalytic performance of CO on Fe-embedded graphene was investigated by means of first-principles computations, where the Fe atom can be constrained at a vacancy site of graphene with a high diffusion barrier (6.78 eV), and effectively activate the adsorbed O2 molecule.

TL;DR: The present investigation reveals a new idea and different means for designing and synthesizing high-performance NLO materials and finds that the excess electron from the Li atom plays an important role in the large first hyperpolarizability of Li@calix[4]pyrrole.

TL;DR: The theoretical and experimental results show α-MoB2's catalytic activity, especially at large current densities, is due to its high conductivity, large density of efficient catalytic active sites and good mass transport property.