The support plays an important role for supported metal catalysts by positioning itself as a
macromolecular ligand, which conditions the nature of the active site and contributes …

As a generally existing component in industrial streams, H2O usually inhibits the catalytic
degradation efficiency of volatile organic compounds (VOCs) greatly. Here, we propose a …

The fundamental relationship between structure and properties, which is called “structure‐
property”, plays a vital role in the rational designing of high‐performance catalysts for …

Engineering precious metals' sub‐nanometer cluster on 2D earth‐abundant supports
provides a promising approach for the development of high‐efficient electrocatalysts in …

Using the dispersion-corrected density functional theory (DFT-D3) method, we
systematically studied the adsorption of 15 kinds of transition-metal (TM) clusters on pristine …

We study 14 transition metals on pristine and N-doped graphene using density functional
theory. For double vacancies, nitrogen doping increases the binding strength of harder …

In this paper, we report a comprehensive investigation of Pt nanoparticles (NPs) deposition
on nitrogen-and sulfur-doped or codoped mesoporous carbons (N-MC, S-MC, and N, S-MC) …

The results of studies related to the development of synthesis, determination of formation
conditions and elucidation of the mechanism of palladium–carbon catalyst action are …

To explain the reaction mechanism of Mn-based catalysts at atomic level and vital activity-
limiting factors during the deNO x progress after K and Na poisoning, a detailed …

The hydrogen storage properties of magnesium (Mg) considerably rely on the size and
morphology of Mg particles that determine the diffusion path for hydrogen atoms. Despite the …