●     Events

●     Faculty

●     Funding

●     Research

●     Students

Chem Sci: Identification of Pt-based Catalysts for Propane Dehydrogenation via a Probability Analysis

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 activit...

Angew Chem: Hydroxyl‐mediated Non‐oxidative Propane Dehydrogenation over VOx/Al2O3 Catalysts with Promoted Stability

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 structure...

JPCC: Coverage Effect on the Activity of the Acetylene Semihydrogenation over Pd–Sn Catalysts: A Density Functional Theory Study

​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 presente...

Chem Sci: On the role of Ce in CO2 adsorption and activation over lanthanum species

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 influence of Ce addition on ...

Highlighted by Materials Views China (Wiley): “产物可调的Pd-Cu双金属二氧化碳电还原催化剂”

Electrochemical conversion of carbon dioxide (electrochemical reduction of carbon dioxide) to value‐added products is a promising way to solve CO2 emission problems. This paper describes a facile one‐pot approach to synthesize palladium–copper (Pd–Cu) bimetallic catalysts with different structures. Highly efficient performance and tunable product distributions are achieved due to a coordina...

Cover Story: Healing effect of ozone treatment for excessive surface oxygen vacancies

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 treatme...

Chengcheng’s work is highlighted by Advanced Science News

​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!

Zhiqi’s Paper is Selected as Cover Article on JACS

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

Two Cover Stories by Xiaoxia

​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!

Peng’s work is highlighted by Chemistry Views

​Peng’s work on “Synergistic Cocatalytic Effect of Carbon Nanodots and Co3O4 Nanoclusters for Photoelectrochemical Water Oxidation on Hematite” is highlighted by Chemistry Views

Ang’s work on is highlighted by both Materials Views (Wiley) and Chemical & Engineering News (ACS)

​Ang’s work on “Spatial Separation of Oxidation and Reduction Co-catalysts for Efficient Charge Separation: Pt@TiO2@MnOx Hollow Spheres for Photocatalytic Reactions” is highlighted by both Materials Views (Wiley) and Chemical & Engineering News (ACS). Congrats, Ang!

Professor Gong’s contribution in chemistry is highlighted by Nature

​Professor Gong’s contribution in chemistry is highlighted by Nature. “Jinlong Gong from the school of chemical engineering and technology is the largest contributor in chemistry, with seven articles (WFC = 4.8) — including one in Nature Communications — on nanomaterials.”