A5100442336- Catalytic Processes in Materials Science
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Catalysis and Oxidation Reactions
- Electrocatalysts for Energy Conversion
- Catalysts for Methane Reforming
- Advancements in Battery Materials
- Catalysis and Hydrodesulfurization Studies
- Nanomaterials for catalytic reactions
- Carbon dioxide utilization in catalysis
- Copper-based nanomaterials and applications
- Fuel Cells and Related Materials
- CO2 Reduction Techniques and Catalysts
- Advanced battery technologies research
- Advanced Battery Materials and Technologies
- Advanced Photocatalysis Techniques
- Crystallography and molecular interactions
- Supercapacitor Materials and Fabrication
- Semiconductor materials and devices
- Metal-Organic Frameworks: Synthesis and Applications
- Graphene research and applications
- Electrochemical Analysis and Applications
- Advanced Chemical Physics Studies
- Zeolite Catalysis and Synthesis
- ZnO doping and properties
Brookhaven National Laboratory
2016-2025
Stony Brook University
2016-2025
Xiamen University
2020-2025
Xinjiang Astronomical Observatory
2024-2025
Jiangsu Normal University
2025
Institute of Coal Chemistry
2015-2025
Southwest University
2009-2025
Peking University
2017-2025
Peking University Third Hospital
2025
State Key Laboratory of Coal Conversion
2019-2025
The active sites over commercial copper/zinc oxide/aluminum oxide (Cu/ZnO/Al2O3) catalysts for carbon dioxide (CO2) hydrogenation to methanol, the Zn-Cu bimetallic or ZnO-Cu interfacial sites, have recently been subject of intense debate. We report a direct comparison between activity ZnCu and ZnO/Cu model methanol synthesis. By combining x-ray photoemission spectroscopy, density functional theory, kinetic Monte Carlo simulations, we can identify characterize reactivity each catalyst. Both...
The transformation of CO2 into alcohols or other hydrocarbon compounds is challenging because the difficulties associated with chemical activation by heterogeneous catalysts. Pure metals and bimetallic systems used for this task usually have low catalytic activity. Here we present experimental theoretical evidence a completely different type site activation: copper-ceria interface that highly efficient synthesis methanol. combination metal oxide sites in affords complementary properties lead...
Density functional theory (DFT) was employed to investigate the behavior of a series catalysts used in hydrogen evolution reaction (HER, 2H+ + 2e- → H2). The kinetics HER studied on [NiFe] hydrogenase, [Ni(PS3*)(CO)]1- and [Ni(PNP)2]2+ complexes, surfaces such as Ni(111), Pt(111), or Ni2P(001). Our results show that hydrogenase exhibits highest activity toward HER, followed by > Ni2P Pt Ni decreasing sequence. slow is due fact metal hollow sites bond too strongly allow facile removal H2. In...
The chemical transformation of CO2 not only mitigates the anthropogenic emission into Earth's atmosphere but also produces carbon compounds that can be used as precursors for production chemicals and fuels. activation conversion achieved on multifunctional catalytic sites available at metal/oxide interface by taking advantage synergy between metal nanoparticles oxide support. Herein, we look recent progress in mechanistic studies hydrogenation to C1 (CO, CH3OH, CH4) catalysts. On this basis,...
The electronic properties of Pt nanoparticles deposited on CeO(2)(111) and CeO(x)/TiO(2)(110) model catalysts have been examined using valence photoemission experiments density functional theory (DFT) calculations. DFT results point to a new type "strong metal-support interaction" that produces large perturbations for small particles in contact with ceria significantly enhances the ability admetal dissociate O-H bonds water. When going from Pt(111) Pt(8)/CeO(2)(111), dissociation water...
Rational optimization of catalytic performance has been one the major challenges in catalysis. Here we report a bottom-up study on ability TiO2 and ZrO2 to optimize CO2 conversion methanol Cu, using combined density functional theory (DFT) calculations, kinetic Monte Carlo (KMC) simulations, situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements, steady-state flow reactor tests. The theoretical results from DFT KMC agree with DRIFTS showing that both help...
We examined the effects of thickness Pt shell, lattice mismatch, and particle size on specific mass activities from changes in effective surface area activity for oxygen reduction induced by stepwise Pt-monolayer depositions Pd Pd(3)Co nanoparticles. The core-shell structure was characterized at atomic level using Z-contrast scanning transmission electron microscopy coupled with element-sensitive energy loss spectroscopy. enhancements are largely attributed to compressive strain effect based...
The water-gas shift (WGS) reaction (where carbon monoxide plus water yields dihydrogen and dioxide) is an essential process for hydrogen generation removal in various energy-related chemical operations. This equilibrium-limited favored at a low working temperature. Potential application fuel cells also requires WGS catalyst to be highly active, stable, energy-efficient match the temperature of on-site consumption units. We synthesized layered gold (Au) clusters on molybdenum carbide (α-MoC)...
More than skin deep: Platinum monolayers can act as shells for palladium nanoparticles to lead electrocatalysts with high activities and an ultralow platinum content, but utilization. The stability derives from the core protecting shell dissolution. In fuel-cell tests, no loss of was observed in 200 000 potential cycles, whereas significant.
TiO2-coated multilayered SnO2 hollow microspheres exhibit a high overall photoconversion efficiency of ∼5.65% when used for dye-sensitized solar-cell photoelectrodes due to multiple reflecting and scattering incident light in the hierarchical spherical structure.
The electrochemical CO2 reduction reaction (CO2RR) typically uses transition metals as the catalysts. To improve efficiency, tremendous efforts have been dedicated to tuning morphology, size, and structure of metal catalysts employing electrolytes that enhance adsorption CO2. We report here a strategy CO2RR by constructing metal–oxide interface. demonstrate Au–CeOx shows much higher activity Faradaic efficiency than Au or CeOx alone for CO2RR. In situ scanning tunneling microscopy...
A combination of experimental and theoretical methods were employed to investigate the synthesis methanol via CO(2) hydrogenation (CO(2) + 3H(2)--> CH(3)OH H(2)O) on Cu(111) Cu nanoparticle surfaces. High pressure reactivity studies show that nanoparticles supported a ZnO(0001[combining macron]) single crystal exhibit higher catalytic activity than planar surface. Complementary density functional theory (DFT) calculations also performed for surface unsupported Cu(29) nanoparticles, results...
A cerious contender: The catalytic activity in the water gas shift reaction of Au and Cu nanoparticles supported on CeO2(111) is superior to that these a ZnO(000) support or bulk metals (the diagram shows results depending nanoparticle coverage). These illustrate essential role an oxide can have nanocatalysts.
Abstract The grand challenge in the development of atomically dispersed metallic catalysts is their low metal-atom loading density, uncontrollable localization and ambiguous interactions with supports, posing difficulty maximizing catalytic performance. Here, we achieve an interface catalyst consisting atomic cobalt array covalently bound to distorted 1T MoS 2 nanosheets (SA Co-D ). phase transforming from 2H D-1T, induced by strain lattice mismatch formation Co-S covalent bond between Co...
Abstract The synergistic interaction among different components in complex catalysts is one of the crucial factors determining catalytic performance. Here we report interactions three controlling performance Cu–ZnO–ZrO 2 (CZZ) catalyst for CO hydrogenation to methanol. situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) measurements under activity test pressure (3 MPa) reveal that methanol on CZZ follows formate pathway. Density functional theory (DFT) calculations...
The high thermochemical stability of CO2 makes it very difficult to achieve the catalytic conversion molecule into alcohols or other hydrocarbon compounds, which can be used as fuels starting point for generation fine chemicals. Pure metals and bimetallic systems → CH3OH usually bind too weakly and, thus, show low activity. Here, we discuss a series recent studies that illustrate advantages metal–oxide metal–carbide interfaces when aiming at methanol. CeOx/Cu(111), Cu/CeOx/TiO2(110),...
Abstract Tuning heterointerfaces between hybrid phases is a very promising strategy for designing advanced energy storage materials. Herein, low‐cost, high‐yield, and scalable two‐step approach reported to prepare new type of material containing MoS 2 /graphene nanosheets prepared from ball‐milling exfoliation commercial bulky graphite. When tested as an anode sodium‐ion battery, the as‐prepared exhibit remarkably high rate capability (284 mA h g −1 at 20 A (≈30C) 201 50 (≈75C)) excellent...
Rh-based catalysts display unique efficiency and selectivity in catalyzing ethanol synthesis from syngas (2CO + 4H2 → C2H5OH H2O). Understanding the reaction mechanism at molecular level is key to rational design of better for synthesis, which one major challenges application energy. In this work, extensive calculations based on density functional theory (DFT) were carried out investigate complex Rh(111). Our results show that Rh(111) starts with formyl formation CO hydrogenation, followed...
The performance loss of lithium-ion batteries with lithium iron phosphate positive chemistry was analyzed using electrochemical characterization techniques such as galvanostatic charge–discharge at different rates, ac impedance, and hybrid pulse power measurements. Differentiation analysis the discharge profiles well in situ reference electrode measurement revealed degradation carbon negative; cell capacity, however, limited by amount active lithium. Destructive physical analyses ex were...
The existing Ni-yttria-stabilized zirconia anodes in solid oxide fuel cells (SOFCs) perform poorly carbon-containing fuels because of coking and deactivation at desired operating temperatures. Here we report a new anode with nanostructured barium oxide/nickel (BaO/Ni) interfaces for low-cost SOFCs, demonstrating high power density stability C3H8, CO gasified carbon 750°C. Synchrotron-based X-ray analyses microscopy reveal that nanosized BaO islands grow on the Ni surface, creating numerous...
Abstract By simply changing the oxide support, selectivity of a metal–oxide catalysts can be tuned. For CO 2 hydrogenation over PtCo bimetallic supported on different reducible oxides (CeO , ZrO and TiO ), replacing support by CeO or selectively strengthens binding C,O‐bound O‐bound species at PtCo–oxide interface, leading to product selectivity. These results reveal mechanistic insights into how catalytic performance fine‐tuned.
We explored the origin of enhanced activity Pd-alloy electrocatalysts for O2 reduction reaction by correlating electrocatalytic intrinsic Pd and Pt surfaces overlayers on several substrates with their electronic properties, established volcano-type dependence binding energy oxygen d-band center top metal layer. Intrinsic bind too firmly to allow efficient removal adsorbed intermediates. Therefore, they do not have highest are volcano plot. A overlayer a Pd3Fe(111) alloy, was predicted lie...