A5101511217- Electrocatalysts for Energy Conversion
- Molecular Junctions and Nanostructures
- Catalytic Processes in Materials Science
- Advanced Photocatalysis Techniques
- Quantum and electron transport phenomena
- CO2 Reduction Techniques and Catalysts
- Ammonia Synthesis and Nitrogen Reduction
- Semiconductor materials and devices
- Graphene research and applications
- Ionic liquids properties and applications
- Petroleum Processing and Analysis
- Nanomaterials for catalytic reactions
- Hydrogen Storage and Materials
- MXene and MAX Phase Materials
- Organic Electronics and Photovoltaics
- Photochromic and Fluorescence Chemistry
- Enhanced Oil Recovery Techniques
- Surfactants and Colloidal Systems
- Oxidative Organic Chemistry Reactions
- Electronic and Structural Properties of Oxides
- Photovoltaic System Optimization Techniques
- Caching and Content Delivery
- Catalysis and Oxidation Reactions
- Semiconductor materials and interfaces
- Thermal Radiation and Cooling Technologies
Nanjing University of Posts and Telecommunications
2022-2025
Guizhou University
2024
University of Chinese Academy of Sciences
2024
China University of Petroleum, East China
2013-2022
University of Massachusetts Amherst
2022
Southeast University
2019-2021
Tongji University
2020
Henan Normal University
2017-2018
Xinxiang University
2017-2018
China University of Petroleum, Beijing
2011
The photo-/electrocatalytic nitrogen reduction reaction (NRR) is an up and coming method for sustainable NH
A Pd atom Mo<sub>2</sub>CO<sub>2</sub> exhibits excellent stability and high activity to CO oxidation.
Water splitting is widely acknowledged as an efficient method for hydrogen production. In recent years, significant research efforts have been directed towards developing cost-effective electrocatalysts. However, the management of bubbles formed on electrode surface during electrolysis has largely overlooked. These can impede active sites, resulting in decreased catalytic performance and stability, especially at high current densities. Consequently, this impediment affects energy conversion...
Successful engineering of functional tissues requires the development three-dimensional (3D) scaffolds that can provide an optimum microenvironment for tissue growth and regeneration. A new class 3D with a high degree organization unique topography is fabricated from polyacrylamide hydrogel. The hydrogel matrix molded by inverted colloidal crystals made 104 μm poly(methyl methacrylate) spheres. scaffold be described as hexagonally packed 97 spherical cavities interconnected network channels....
Single-atom catalysts (SACs) often present outstanding activity due to their high ratio of low-coordinated metal atoms and can be applied the activation strong chemical bonds such as C[triple bond, length m-dash]O. Herein, we investigate potential usage a single-atom catalyst, in which isolated cobalt are supported on porous graphitic carbon nitride (Co/g-C3N4), for CO oxidation. Based adsorption/co-adsorption energies O2, CO, 2O2, + O2 2CO, screening criteria reaction mechanisms oxidation,...
Aiming at the problem of urban traffic congestion in morning and evening rush hours, taking commuter carpool path planning as research object, spatial correlation flow adjacent intersections is mined using convolutional neural networks (CNN), temporal features are long short-term memory (LSTM) model. The extracted fused to achieve prediction. Considering travel willingness drivers passengers, a multi-objective optimization model with minimum driver passenger loss time total established under...
Mo 2 C has been demonstrated as an active and durable catalyst for electrocatalytic nitrate-to-ammonia conversion (NRA), attributed to the surface-terminated sites selectively absorb NO 3 − promote NRA energetics.
Abstract Electrochromic/electrofluorochromic (EC/EFC) dual‐functional materials with electrochemically switchable colors and fluorescence offer the possibility of developing reflection/emission dual‐mode integrated displays in one device. However, unlike easily adjustable multi‐color EC properties, EFC properties tunable intensity are relatively broad, while those color emission rare. Herein, two terpyridine‐attached viologen derivatives Tpy‐Vio‐1 Tpy‐Vio‐2 designed synthesized for exploring...
Abstract Recently, stimuli‐responsive color/fluorescence dual‐switchable materials have attracted great attention, whereas most of them respond to monostimulus. Therefore, it is essential design two or multi‐stimuli‐responsive and develop their applications. Viologens, which the electric potential, light irradiation, pH, heat, are suitable for construction two‐ materials. Moreover, easily modified chemical structure, tunable electronic properties, excellent electrochemical characteristics...
Low limiting potential, high product selectivity, strong visible light absorbance and satisfactory band edge positions make Cu<sub>2</sub>S monolayers a very compelling photocatalyst for CO<sub>2</sub> reduction.
Effectively controlling the selectivity of C 2 oxygenates is desirable for electrocatalytic CO reduction. Copper catalyst has been considered as most potential reducing to products, but it still suffers from low selectivity, high overpotential, and competitive hydrogen evolution reaction (HER). Here, we propose a design strategy introduce second metal that weakly binds H functional ligand provides bonds protons achieve effective suppression HER on Cu(100) surface simultaneously. Seven metals...
The adsorption and dissociation of O2 on the Pt modified TiC(001) surfaces with different coverages 1/4, 1/2, 3/4, 1 ML are comparatively investigated using ab initio density functional theory calculations. geometric electronic structures analyzed in detail. strong interaction atoms is beneficial to improving stability activity catalyst. Compared Pt(111), MLPt/TiC(001) (3 × 3) has a positive impact promoting scission O–O bond (leading barrier comparable that Pt(111)) weakening atomic O (the...
Using density functional theory (DFT) combined with the first-principles nonequilibrium Green's function (NEGF), we investigated electron-transport properties and rectifying behaviors of several molecular junctions based on bis-2-(5-ethynylthienyl)ethyne (BETE) molecule. To examine roles different rectification factors, asymmetric electrode-molecule contacts donor-acceptor substituent groups were introduced into BETE-based junction. The current-voltage characteristics obtained for containing...
The formation, geometries, electronic structures, and catalytic properties of monovacancy divacancy the defective TiC(001) with single Pt atom dimer are systematically studied based on first-principles calculations. Compared diffusion barrier Pt1 VC-TiC(001), Pt2 VC-TiC(001) has a larger barrier, indicating that substrate can stabilize inhibit its efficiently. Pt1/VC-TiC(001), DOS plot Pt2/VC-TiC(001) presents peak at Fermi energy caused by variations in structure VC-TiC(001)-modified...
The dissociation of H<sub>2</sub>S (H<sub>2</sub>S → SH + H S H) and the hydrogenation reactions (SH H<sub>2</sub>S).
Atomically dispersed (AD) materials have incredible catalytic ability and offer atom economy with 100% metal utilization during reactions.
The electron-transport properties of C59N molecular junctions with different electrodes (Au, Al, and CNT) are investigated by density functional theory (DFT) combined the first-principle nonequilibrium Green's function (NEGF). current–voltage characteristics all models calculated. results show both electrode species nitrogen-atom location may affect transport junction. When nitrogen atom molecule is located close to one side junction, rectifying behavior can be found in CNT-electrode models,...
The adsorption and dissociation of O2 on the M4 (M=Au, Pd, Pt) clusters supported HfC(001) (Hafnium Carbide) are investigated using ab initio density functional theory calculations. geometric electronic structures analyzed in detail. It is found that barriers Au4/HfC(001) (0.26 eV), Pd4/HfC(001) (0.49 eV) Pt4/HfC(001) (0.09 much smaller than those clean surfaces (1.60 Au(111) (1.37 Pd(111) (1.0 0.91 Pt(111) (0.27–0.7 respectively. low imply exhibits highest catalytic activity for...
The spin-dependent electron transport in the ferrocene-based molecular junctions, which molecules are 1,3-substituted and 1,3'-substituted ethynyl ferrocenes, respectively, is studied by theoretical simulation with nonequilibrium Green's function density functional theory. calculated results suggest that substitution position of terminal groups has a great effect on current-voltage properties spin filtering efficiency junctions. At lower bias, high found ferrocene junction, suggests also...