A5063564807- High Entropy Alloys Studies
- High-Temperature Coating Behaviors
- Nuclear Materials and Properties
- Advanced materials and composites
- High Temperature Alloys and Creep
- Fusion materials and technologies
- Graphene research and applications
- Advanced Materials Characterization Techniques
- MXene and MAX Phase Materials
- Nuclear materials and radiation effects
- Additive Manufacturing Materials and Processes
- Ion-surface interactions and analysis
- Electrocatalysts for Energy Conversion
- Intermetallics and Advanced Alloy Properties
- 2D Materials and Applications
- Metal and Thin Film Mechanics
- X-ray Diffraction in Crystallography
- Acute Ischemic Stroke Management
- Crystallization and Solubility Studies
- Nanopore and Nanochannel Transport Studies
- Venous Thromboembolism Diagnosis and Management
- Advanced ceramic materials synthesis
- Semiconductor materials and devices
- Dielectric materials and actuators
- Ammonia Synthesis and Nitrogen Reduction
City University of Hong Kong
2019-2025
City University of Hong Kong, Shenzhen Research Institute
2019-2024
Civil Aviation University of China
2024
Qingdao University of Technology
2024
Central South University
2017-2023
Baotou Central Hospital
2009-2022
Zhejiang University of Technology
2022
Tangshan People's Hospital
2021
Xiangtan University
2019-2020
Oak Ridge National Laboratory
2016-2019
The capacity and stability of the constituent electrodes critically determine performance Li-ion batteries (LIBs). In this study, density functional theory is employed to explore potential application recently synthesized two dimensional phosphorene as an electrode material in LIBs. Our results show that Li atoms can bind strongly with monolayer double layer significant electron transfer. Besides, structure not influenced much by lithiation volume change only 0.2%. After lithiation, a...
Abstract Transition metal oxides or (oxy)hydroxides have been intensively investigated as promising electrocatalysts for energy and environmental applications. Oxygen in the lattice was reported recently to actively participate surface reactions. Herein, we report a sacrificial template-directed approach synthesize Mo-doped NiFe (oxy)hydroxide with modulated oxygen activity an enhanced electrocatalyst towards evolution reaction (OER). The obtained MoNiFe displays high mass of 1910 A/g at...
Multielement solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from local structural characteristics. The structure a NiCoCr alloy is measured with x-ray or neutron total scattering extended absorption fine (EXAFS) techniques. pair distribution function analysis does not exhibit an observable distortion. However, EXAFS suggests that Cr atoms favorably bonded Ni Co in alloys. This short-range order (SRO) may make important...
Using ab initio calculations and special quasirandom structures, we have characterized the distribution of defect formation energy migration barrier in Ni-based solid-solution alloys: Ni_{0.5}Co_{0.5}, Ni_{0.5}Fe_{0.5}, Ni_{0.8}Fe_{0.2} Ni_{0.8}Cr_{0.2}. As energies depend sensitively on elemental chemical potential, developed a computationally efficient method for determining it which takes into account global composition local short-range order. We find that Fe has biggest alloy effects Ni...
Abstract High-entropy ceramics (HECs) have shown great application potential under demanding conditions, such as high stresses and temperatures. However, the immense phase space poses challenges for rational design of new high-performance HECs. In this work, we develop machine-learning (ML) models to discover high-entropy ceramic carbides (HECCs). Built upon attributes HECCs their constituent precursors, our ML demonstrate a prediction accuracy (0.982). Using well-trained models, evaluate...
Nanoparticle strengthening provides a crucial basis for developing high-performance structural materials with potentially superb mechanical properties applications. However, the general wisdom often fails to work well due poor thermal stability of nanoparticles, and rapid coarsening these particles will lead accelerated failures especially at elevated temperatures. Here, we demonstrate strategy achieve ultra-stable nanoparticles 800~1000 °C in Ni59.9-xCoxFe13Cr15Al6Ti6B0.1 (at.%) chemically...
The complexes of metal center and nitrogen ligands are the most representative systems for catalyzing hydrogenation reactions in small molecule conversion. Developing heterogeneous catalysts with similar active metal-nitrogen functional centers, nevertheless, still remains challenging. In this work, we demonstrate that coupling anti-perovskite Co4 N can be effective modulated by Cu doping to form Co3 CuN, leading strongly promoted process during electrochemical reduction nitrate (NO3- RR)...
Abstract Developing high‐performance oxygen evolution reaction (OER) catalysts are critical for the practical application of many electrochemical energy devices. In this study, taking layered perovskite oxide thin films as model system, it is demonstrated that OER pathway can be effectively shifted by activating lattice oxygen, leading to strongly enhanced intrinsic activity. The performance Ruddlesden‐Popper (RP)‐phase cobaltite significantly Sr doping at A site increases, which attributed...
Intermetallic alloys have traditionally been characterized by their inherent brittleness due to lack of sufficient slip systems and absence strain hardening. However, here we developed a single-phase B2 high-entropy intermetallic alloy that is both strong plastic. Unlike conventional intermetallics, this features highly distorted crystalline lattice with complex chemical order, leading multiple high flow stress. In addition, the exhibits dynamic hardening mechanism triggered dislocation...
Integrating high-entropy philosophy and nanocrystal-specific orientation into a single catalyst represents promising strategy in development of high-performance catalysts. Nonetheless, shape-controlled synthesis alloy (HEA) nanocrystals is challenging owing to the distinct redox potentials growth dynamics metal elements. Herein, one-pot co-reduction method developed fabricate ruthenium (Ru)-doped PtFeNiCuW octahedral HEA onto carbon nanotubes (Ru-PtFeNiCuW/CNTs). It demonstrated that Ru dopants W(CO)
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance performance spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out investigate M2C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected biaxial symmetric mechanical strains. At strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti2C Zr2C which show moment 1.92 1.25 μB/unit,...
Molecular dynamic simulations are performed to investigate the mechanical properties of hybrid graphene and hexagonal boron nitrogen (h-BN) sheet with concentration BN ranging from 0% 100%. We find that Young's modulus decreases increasing BN, irrespective shapes distributions. However, a little mixing h-BN can result in noticeable drop yield strength sheet. In addition, exhibits strong plasticity behaviour during tensile loading, which is not observed pure sheets. further demonstrate this...
Density functional theory (DFT) calculation is employed to study the adsorption properties of Pb and Cu on recently synthesized two-dimensional materials MXenes, including Ti3C2, V2C1 Ti2C1. The influence surface decoration with groups such as H, OH F have also been investigated. Most these studied MXenes exhibit excellent capability adsorb Cu, especially capacity Ti2C1 high 2560 mg g(-1). Both binding energies capacities are sensitive attached MXenes' surface. Ab initio molecular dynamics...
Abstract Concentrated solid-solution alloys (CSAs) based on 3 d transition metals have demonstrated extraordinary mechanical properties and radiation resistance associated with their low stacking fault energies (SFEs). Owing to the intrinsic disorder, SFEs in CSAs exhibit distributions depending local atomic configurations. In this work, distribution of equiatomic NiCo, NiFe, NiCoCr are investigated empirical potential first-principles calculations. We show that calculated chemically...