A5100383009- Seismic Waves and Analysis
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Methane Hydrates and Related Phenomena
- Catalytic Processes in Materials Science
- Advanced Battery Materials and Technologies
- Catalysis and Oxidation Reactions
- Advancements in Battery Materials
- Metal-Organic Frameworks: Synthesis and Applications
- Ionic liquids properties and applications
- Advanced battery technologies research
- Catalysts for Methane Reforming
- Electrocatalysts for Energy Conversion
- Advanced NMR Techniques and Applications
- Crystallography and molecular interactions
- Carbon dioxide utilization in catalysis
- Earthquake Detection and Analysis
- Fuel Cells and Related Materials
- Zeolite Catalysis and Synthesis
- Iron oxide chemistry and applications
- Advanced Photocatalysis Techniques
- Nanomaterials for catalytic reactions
- Spectroscopy and Quantum Chemical Studies
- Covalent Organic Framework Applications
- NMR spectroscopy and applications
Central South University of Forestry and Technology
2023-2025
Central South University
2014-2025
Pacific Northwest National Laboratory
1995-2025
Guangdong University of Technology
2016-2025
Henan Agricultural University
2024
Lanzhou University
2023-2024
East China University of Science and Technology
2015-2024
Xi'an University of Architecture and Technology
2022-2024
Huazhong University of Science and Technology
2013-2024
Environmental Molecular Sciences Laboratory
2017-2024
Low-cost, environment-friendly aqueous Zn batteries have great potential for large-scale energy storage, but the intercalation of zinc ions in cathode materials is challenging and complex. Herein, critical role structural H2 O on Zn2+ into bilayer V2 O5 ·nH2 demonstrated. The results suggest that O-solvated possesses largely reduced effective charge thus electrostatic interactions with framework, effectively promoting its diffusion. Benefited from "lubricating" effect, battery shows a...
Engineering suitable redox molecules In a flow battery, catholyte and anolyte are stored in separate tanks, pumps used to circulate the fluids into stack with electrodes separated by thin membrane. Such batteries ideal for large-scale grid storage applications; however, currently limited. Feng et al. “molecular engineering” modify an inexpensive precursor (9-fluorenone) as basis organic-based battery (see Perspective Hu Liu). The authors tested series of variant which reactions involve...
The ambient electrocatalytic N2 reduction reaction (NRR) is a promising alternative to the Haber-Bosch process for producing NH3. However, guideless search single-atom-based and other electrocatalysts cannot promote NH3 yield rates by NRR efficiently. Herein, our first-principles calculations reveal that successive emergence of vertical end-on *N2 oblique *NNH admolecules on single metal sites key high-performance NRR. By targeting admolecules, Ag with Ag-N4 coordination are found...
Oxygen-containing carbons are promising supports and metal-free catalysts for many reactions. However, distinguishing the role of various oxygen functional groups quantifying tuning each functionality is still difficult. Here we investigate Brønsted acidic oxygen-containing by synthesizing a diverse library materials. By combining acid-catalyzed elimination probe chemistry, comprehensive surface characterizations, 15N isotopically labeled acetonitrile adsorption coupled with magic-angle...
Abstract The development of nanomaterials is crucial to upgrading modern industry. MXene nanosheets have attracted significant attention due their superb resistance permeation, diverse surface chemical properties, impressive mechanical and metal‐like electrical thermal conductivity, etc., providing unique advantages in various technical fields. When are combined with polymers form functional coatings, applications span multiple fields, including anticorrosion, wear resistance,...
We report for the first time results of a systematic density functional theory (DFT) study water-gas shift (WGS) reaction and coke formation pathways on Ni(111) Ni(211) surfaces, consisting 21 elementary-like steps 12 surface species. Brønsted–Evans–Polanyi correlations are proposed dehydrogenation C–O bond breaking reactions flat stepped surfaces. The DFT suggest that is slightly more active WGS reaction, which occurs mainly via carboxyl pathway with CO* + OH* ⇌ COOH*+* as rate determining...
Hydrogenation of ethylene and dehydrogenation hydrogenolysis ethane on Pt(111) Pt(211) have been studied using density functional theory (DFT) calculations. Adsorption CHx C2Hx species has investigated. All the hydrogenation elementary-like reactions C2 species, all C−C bond-cleavage isomerization between calculated. The following found: (i) CH3C is most stable Pt(211); (ii) Pt(211), dissociation to CH2CH2 CH3CH a rapid process at low surface temperatures; (iii) Pt(111), expected be rapidly...
Hematite nanoparticles are abundant in the photic zone of aquatic environments, where they play a prominent role photocatalytic transformations bound organics. Here, we examine degradation rhodamine B by visible light using two different structurally well-defined hematite nanoparticle morphologies. In addition to detailed solid characterization and aqueous kinetics measurements, also exploit species-selective scavengers electron paramagnetic resonance spectroscopy sequester specific reaction...
Abstract Commercial Cu/SAPO-34 selective catalytic reduction (SCR) catalysts have experienced unexpected and quite perplexing failure. Understanding the causes at an atomic level is vital for synthesis of more robust catalysts. Here we show, via application model with homogeneously dispersed isolated Cu ions, that transformations resulting from low-temperature hydrothermal aging ambient temperature storage can be semi-quantitatively probed 2-dimensional pulsed electron paramagnetic...
Precious metals, such as platinum, have recently been explored catalysts for the water–gas shift (WGS) reaction. Previous studies elucidated underlying reaction mechanism using mean-field models; however, contribution of different site types, namely, steps and terraces, on overall rate is an open question, it remains unclear how structure sensitive WGS is. The present work addresses these questions a multiscale modeling approach that integrates density functional theory (DFT) calculations...
Cu/SSZ-13 selective catalytic reduction catalysts display activity loss after mild hydrothermal aging without support degradation or of isolated Cu cation content. By applying electron paramagnetic resonance spectroscopy to compare hydrated, dehydrated, and NH3-saturated before aging, as well density functional theory calculations, it is found that induces relocation, leading stronger Cu–support interactions. This particularly evidenced by ZCuOH conversion Z2Cu, which leads the generation a...
An in-depth investigation of the solvation structure trivalent aluminum cation in Al(OTf) 3 solutions reveals major concerns regarding feasibility rechargeable aqueous batteries.
Low-temperature standard NH3-SCR over copper-exchanged zeolite catalysts occurs on NH3-solvated Cu-ion active sites in a quasi-homogeneous manner. As key kinetically relevant reaction steps, the intermediate CuII(NH3)4 ion hydrolyzes to CuII(OH)(NH3)3 gain redox activity. The also transfers between neighboring cages form highly reactive intermediates. Via operando electron paramagnetic resonance spectroscopy and SCR kinetic measurements density functional theory calculations, we demonstrate...