A5101521767- Catalytic Processes in Materials Science
- Electrocatalysts for Energy Conversion
- Ammonia Synthesis and Nitrogen Reduction
- Catalysis and Oxidation Reactions
- Advanced Photocatalysis Techniques
- CO2 Reduction Techniques and Catalysts
- Nanomaterials for catalytic reactions
- Covalent Organic Framework Applications
- Carbon dioxide utilization in catalysis
- Advanced battery technologies research
- Zeolite Catalysis and Synthesis
- Advanced Chemical Physics Studies
- Electrochemical Analysis and Applications
- Advancements in Battery Materials
- TiO2 Photocatalysis and Solar Cells
- Extraction and Separation Processes
- Peptidase Inhibition and Analysis
- Fuel Cells and Related Materials
- Advanced Battery Materials and Technologies
- Supercapacitor Materials and Fabrication
- Catalysis and Hydrodesulfurization Studies
- Lung Cancer Research Studies
- Mining and Resource Management
- Supply Chain Resilience and Risk Management
- Advanced Thermoelectric Materials and Devices
Fudan University
2024-2025
University of Science and Technology of China
2025
Chinese Academy of Geological Sciences
2024
Taiyuan University of Technology
2022-2024
Peking University
2024
Peking University Third Hospital
2024
West Anhui University
2022
China University of Petroleum, Beijing
2015-2022
Southeast University
2022
The University of Texas at Austin
2020-2021
Metal–nitrogen–carbon (M–N–C) single-atom catalysts (SACs) show high catalytic activity for many important chemical reactions. However, an understanding of their intrinsic remains ambiguous because the lack well-defined atomic structure control in current M–N–C SACs. Here, we use covalent organic framework SACs with identical metal coordination environment as model to elucidate various centers A pH-universal trend is discovered among six 3d transition metals hydrogen peroxide (H2O2)...
Two-dimensional covalent organic frameworks (2D-COFs) may serve as an emerging family of catalysts with well-defined atomic structures. However, the severe stacking 2D nanosheets and large intrinsic bandgaps significantly impair their catalytic performance. Here, we report coaxial one-dimensional van der Waals heterostructures (1D vdWHs) comprised a carbon nanotube (CNT) core thickness tunable thienothiophene-pyrene COF shell using solution-based in situ wrapping method. Density functional...
The emerging metal–nitrogen–carbon (M–N–C) dual–atom catalysts (DACs) have been expected to generate multicarbon products in the CO2 reduction reaction (CO2RR) due presence of multimetal sites DACs. Unfortunately, numerous recent experiments suggested that almost no DAC could effectively produce a high quantity products. To uncover reason for this phenomenon, we probed surface states typical homonuclear and heteronuclear DACs explored mechanisms CO2RR by spin-polarized density functional...
Particulate matter and NO x emissions from diesel exhaust remains one of the most pressing environmental problems. We explore use hierarchically ordered mixed Fe-Ce-Zr oxides for simultaneous capture oxidation soot reduction by ammonia in a single step. The optimized material can effectively trap model particles its open macroporous structure oxidize below 400 °C while completely removing 285-420 range. Surface characterization DFT calculations emphasize defective nature Fe-doped ceria....
Alkali metal poisoning has been a complex yet unresolved issue restricting the catalytic activity of NH3–SCR catalysts in industry to date. Herein, effect K deposition on Fe/beta for NOx was systematically investigated by series experimental characterizations and density functional theory (DFT) calculations. It determined that lower could activate facilitate transfer electrons enhance ratio Fe2+/Fe3+ reducible Fe species, thereafter promoting NO O2 adsorption decreasing activation energy...
Heterogeneous molecular catalysts built from β-substituted cobalt porphyrins and carbon nanotubes afford tunable activity for H 2 O synthesis via the two-electron transfer oxygen reduction reaction.
The development of advanced electrocatalysts with satisfactory C1 pathway selectivity for the ethanol oxidation reaction (EOR) is critical. Herein, a bubbling CO-induced gelation method developed in acetic acid at 50 °C to construct single-atom W-doped Pd metallene aerogels (denoted as SA W–Pd MAs) within 1 h. In light structural advantages noble metal and W decoration, resultant MAs exhibit an outstanding EOR performance high selectivity. Density functional theory calculations validate that...
Abstract Oxygen evolution reaction (OER) plays a critical role in water splitting, which can directly determine the energy consumption of hydrogen production. However, poor stability catalysts at large current density inhibits their industrial application. Therefore, development efficient with industry‐relevant activities still faces great challenges. Herein, one‐step corrosion strategy is reported for preparation multi‐element low‐crystal transition metal hydroxide (denoted as...
The mechanism of low temperature SCR NO with NH<sub>3</sub> catalyzed by MnCe<sub>1−x</sub>O<sub>2</sub>(111) has been explored density functional theory.
Mn-TiO2 oxide catalyst has been studied intensively for selective catalytic reduction (SCR) of NO with NH3 due to its extraordinarily good low-temperature performance. However, the mechanism SCR on still remains unclear, especially regard decomposition pathway NH2NO intermediate and reason decreasing N2 selectivity increasing temperature. In this work, we attempt provide a molecular level understanding these questions via combination DFT experimental study. A complete cycle reaction was...
The strong OCHO* binding nature of hexagonal 2D planar materials endows them with promising potential for selective electrocatalytic CO 2 reduction reaction.
This work presents a multifunctional catalystwhich exhibits outstanding electrocatalytic performance due to the spontaneous electron transfer at interface between two phases and strong link components enhanced by Ta doping.
Tuning the catalytic pathways of atomically dispersed single‐atom catalysts (SAC) has emerged as an effective strategy to optimize their overall activity. Herein, we present Ru1@m‐tube, a hollow carbon nitride‐supported Ru SAC, coated with eutectic galinstan (GaInSn), model catalyst, demonstrate performance inversion in vanillin conversion. Vanillin, biomass‐derived compound industrial relevance, presents challenges hydrogenation, making it ideal reaction test and compare catalyst's...
Tuning the catalytic pathways of atomically dispersed single‐atom catalysts (SAC) has emerged as an effective strategy to optimize their overall activity. Herein, we present Ru1@m‐tube, a hollow carbon nitride‐supported Ru SAC, coated with eutectic galinstan (GaInSn), model catalyst, demonstrate performance inversion in vanillin conversion. Vanillin, biomass‐derived compound industrial relevance, presents challenges hydrogenation, making it ideal reaction test and compare catalyst's...
Methanation and reverse water-gas shift reaction are two important reactions that could happen simultaneously during the process of CO<sub>2</sub> reduction.
The reaction mechanism of N<sub>2</sub>O photoreduction to N<sub>2</sub> on the anatase TiO<sub>2</sub> (101) and (001) facets has been investigated.
A series of Mox–Fe/beta catalysts with constant Fe and variable Mo content were synthesized investigated for selective catalytic reduction (SCR) NOx NH3. It was found that the Mo0.2–Fe/beta catalyst exhibited excellent activity, N2 selectivity preferable resistance to H2O SO2. The characterized by various analytical techniques. TEM SEM images showed addition could enhance dispersion iron oxides. results NH3-TPD Py-IR indicated introduction resulted in a change Brønsted acidity, which...
Diesel engines have been widely applied, while the pollutants emitted from diesel caused serious environmental pollution and human health hazards, especially for soot NOx. Nowadays, design preparation of catalysts with excellent catalytic activity simultaneous removal NOx is a great challenge in field exhaust abatement. In this work, series three-dimensional ordered macroporous (3DOM) La1–xKxMnO3 high elimination were synthesized by colloidal crystal template method. The physicochemical...
Formaldehyde is a harmful and toxic substance. Au-CeO2 catalysts show the excellent formaldehyde catalytic oxidation activity even under ambient temperatures. Here, we present DFT+U calculations to investigate HCHO mechanisms effects of Au doping multiple oxygen vacancies. The reaction process mainly consists following steps: adsorption, C–H bond cleavages, CO2 desorption, O2 H2O formation desorption. doped reduces energy barriers in cleavages on AuCe1–xO2(111) surface compared with...
Transition-metal-based materials can activate C–H and O–H bonds in industrially significant reactions such as hydrocarbon alcohol reforming. Recently, bimetallic alloys based on Au, Ag, Cu have shown unique chemistry including coke-resistance, promising reaction activity, interesting product selectivity. However, the mechanism of their key step, hydrogen associative desorption process, is not well-understood. In this work, density functional theory calculations were used to study kinetics...