CO2 reduction in aqueous solutions is an attractive strategy for carbon capture and utilization. Cuprous oxide (Cu2O) is a promising catalyst for CO2 reduction as it can not only convert CO2 into valuable hydrocarbons but also suppress the side H2 evolution reaction (HER). However, the nature of the active sites is still under debate due […]
Chalcopyrite thin film absorbers such as Cu(In,Ga)Se2 (CIGS) exhibit excellent solar energy conversion efficiency, particularly when coupled with CdS to form an excellent p-n junction. An increasing number of investigations have focused on adopting protective layers and cocatalysts for chalcopyrite/CdS to improve its stability and surface reaction kinetics. However, satisfactory performance has yet not been […]
The intrinsic errors due to functionals are always a concern on the reliability of the predicted catalytic performance by density functional theory. This paper describes a probability-based computational screening study, which has successfully identified an optimal bimetallic alloy (Pt3In) for propane dehydrogenation reaction (PDH). Considering DFT uncertainty, Pt3In was found to get an activity comparable […]
Supported vanadium oxides are one of the most promising alternative catalysts for propane dehydrogenation (PDH) and massive efforts have been made to improve its catalytic performance. However, unlike Pt‐based catalysts, the nature of the active site and surface structure of supported vanadium catalysts under reductive reaction condition still remain elusive. We show that the surface […]
The existence of acetylene impurities in ethylene feedstock is harmful to downstream polymerization reactions. The removal of acetylene can be achieved via semihydrogenation reaction, which is normally catalyzed by Pd-based catalysts. This paper describes the coverage effect on the activity of acetylene hydrogenation reactions over Pd and PdSn alloy surfaces. High-coverage models are presented to […]
La2O3 exhibits good performance for various catalytic applications, such as oxidative coupling of methane (OCM) and dry reforming of methane (DRM), during which coke formation may lead to the deactivation of catalysts. Typically, the reaction between CO2 adsorbed on La2O3 and coke is the rate-determining step of the coke elimination process. This paper describes the […]
During photoelectrochemical water oxidation reaction process, excessive surface oxygen vacancies always trap the photogenerated holes and the surface recombination will be aggravated. We developed an ozone treatment method that could effectively heal surface oxygen vacancies and suppress the recombination of electron-hole pairs on the surface of two-dimensional WO3 nanoflakes. The ozone treatment method can oxidize […]
Chengcheng’s work on “Surviving High-Temperature Calcination: ZrO2-Induced Hematite Nanotubes for Photoelectrochemical Water Oxidation” is highlighted by Advanced Science News (Wiley). Congrats, Chengcheng! http://url.cn/465xzpX
Zhiqi’s paper on “Synthesis of Platinum Nanotubes and Nanorings via Simultaneous Metal Alloying and Etching“ is selected as Cover Article by JACS. His paper on “Collapsed Polymer-directed Synthesis of Multicomponent Coaxial-like Nanostructures“ is also accepted by Nature Commun. Congrats!
Xiaoxia’s paper on “Stable Aqueous Photoelectrochemical CO2 Reduction by Cu2O Dark Cathode with Improved Selectivity for Carbonaceous Products“ is selected as Cover Article and VIP Paper by Angew Chem. His paper on “CO2 Photo-reduction: Insights into CO2 Activation on Surfaces of Photocatalysts” is also accepted by Energy Environmental Science. Congrats!