Single‐atom catalysts (SACs) attract extensive attention in the field of heterogeneous
catalysis in recent years due to the maximum atom utilization and unique physical and …

Machine learning (ML) integrated density functional theory (DFT) calculations have recently
been used to accelerate the design and discovery of heterogeneous catalysts such as single …

Due to the excellent activity, selectivity, and stability, atomically dispersed metal catalysts
with well-defined structures have attracted intensive research attention. As the extension of …

Owing to the ultrahigh surface-to-volume ratio and excellent carrier transport property, two-
dimensional (2D) materials are regarded as most promising candidates for gas sensor with …

The electrocatalytic reduction of CO 2 (CO 2 RR) into value-added hydrocarbons is limited
due to high limiting potential (UL) and competing hydrogen evolution reaction (HER). To find …

Previous studies showed that the performances of two-dimensional materials as gas sensor
can be effectively improved through the assistance of metal atoms. We study the adsorption …

Developing highly active oxygen evolution reaction (OER) catalyst is essential to improve
the performance of a water electrolyzer, where single‐atom catalysts (SACs) have shown …

Catalytic oxidation of NO and Hg 0 in flue gas is essential for environmental protection.
Some state-of-the-art single-atom catalysts (SACs) have shown good catalytic performance …

Abstract Carbon nitride (C 6 N 8) is explored as an adsorption material for harmful industrial
gases such as carbon monoxide (CO) and carbon dioxide (CO 2). The complexation of CO …

Elemental mercury (Hg 0) released from coal-fired power plants causes global concern.
Magnetic adsorbents have attracted extensive attention due to their high adsorption …