A5102771879- MXene and MAX Phase Materials
- Advanced battery technologies research
- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Catalytic Processes in Materials Science
- High-Temperature Coating Behaviors
- Supercapacitor Materials and Fabrication
- Metal and Thin Film Mechanics
- Boron and Carbon Nanomaterials Research
- Electrocatalysts for Energy Conversion
- Advanced Photocatalysis Techniques
- Nuclear Materials and Properties
- Aluminum Alloys Composites Properties
- Fusion materials and technologies
- nanoparticles nucleation surface interactions
- Mesoporous Materials and Catalysis
- Nanoporous metals and alloys
- CO2 Reduction Techniques and Catalysts
- Crystal Structures and Properties
- Machine Learning in Materials Science
- Metal-Organic Frameworks: Synthesis and Applications
- Nanomaterials for catalytic reactions
- Zeolite Catalysis and Synthesis
- Fuel Cells and Related Materials
- Intermetallics and Advanced Alloy Properties
ShanghaiTech University
2020-2024
Luoyang Institute of Science and Technology
2024
Shanghai Institute of Applied Physics
2017-2021
Chinese Academy of Sciences
2017-2021
Shenzhen University
2019-2021
University of Chinese Academy of Sciences
2017-2019
University of South China
2017
Engineering multifunctional superstructure cathodes to conquer the critical issue of sluggish kinetics and large volume changes associated with divalent Zn-ion intercalation reactions is highly desirable for boosting practical battery applications. Herein, it demonstrated that a MoS2/C19H42N+ (CTAB) can be rationally designed as stable high-rate cathode. Incorporation soft organic CTAB into rigid MoS2 host forming superlattice structure not only effectively initiates smooths Zn2+ transport...
Abstract Aqueous Zn‐ion batteries (AZIBs) are promising candidates for implementing large‐scale energy storage, but the adverse side reactions and unsatisfactory cycle life brought by Zn‐metal anodes limit their potential in applications. Herein, an ingenious synthesized CuS 1–x @polyaniline (PANI) is proposed as attractive conversion‐type Zn‐metal‐free anode AZIBs, which appropriate S‐vacancies PANI heterointerfaces can be simultaneously constructed. This “killing three birds with one...
Aqueous zinc batteries (AZBs) are considered promising candidates for large-scale energy storage systems because of their low cost and high safety. However, currently developed AZB cathodes always suffer from the intense charge repulsion multivalent-ion complex multiphase electrochemistry, resulting in an insufficient cycling life impracticable high-sloping discharge profile. Herein, we found that synthesized ultrathin Bi2O2Se nanosheets can effectively activate stable protons AZBs rather...
<italic>In situ</italic> synthesized carbon nanofibers@NiSe core/sheath nanostructures act as robust and stable electrocatalysts for highly selective methanol conversion to value-added formate boosting hydrogen production with less energy consumption.
Abstract The further application of promising transition‐metal chalcogenides (TMCs) cathodes in dilute neutral aqueous Zn batteries (AZBs) is mainly plagued by unsatisfactory working voltages (usually <1 V vs 2+ /Zn) and their conventional cationic redox centers reaching theoretical capacity limit. Hence, to break the confinement, a novel Zn‐Cu 2‐x Se battery developed neutral‐aqueous electrolyte introducing tailored charge‐carrier, which not only alters intercalation potential ions...
Sodium-ion batteries (SIBs) have attracted significant attention as promising next-generation energy storage devices. However, the research and development of SIBs are still in their infancy due to lack suitable high-performance anode materials. As a commercial material for lithium-ion (LIBs), graphite often shows low sodium capacity. Herein, heterojunction was prepared through facile ball-milling method. During process, defect-enriched g-C3N4/graphite formed nitrogen-containing functional...
The atomic morphology change in the NiCr alloy surface induced by fluorine-chemisorption was investigated <italic>ab initio</italic> atomistic thermodynamic method to elucidate early-stage corrosion processes of nickel-based alloys strong oxidizing environment.
ABSTRACT Hydrazine hydrate as a hydrogen source has good effect on nitro reduction, but overuse environmental toxicity and is prone to over‐hydrogenation, resulting in low selectivity. Herein, we report magnetically separable Rh/Fe 3 O 4 (1.26 wt%) catalyst containing an optimal Rh content that can completely convert 3‐nitrostyrene 3‐vinylaniline (> 99% selectivity) using stoichiometric molar ratio of hydrazine (‐NO 2 :N H ·H = 1:1.5). This due the synergy between Fe natural selectivity N...
The effects of fluorine adsorption on the surface segregation behaviors chromium in nickel-based alloys are systematically investigated by selecting three typical low-index Cr-doped Ni (111), (100), and (110) surfaces based first-principles calculations. Cr doped nickel substrate is identified to possess a local trapping effect for full space contributes more exothermic fluorine. In turn, chemisorption can dramatically incur preferential top-surface from bulk. increased energy compensates...
The effects of interstitial carbon, nitrogen, and oxygen (C/N/O) on the helium behavior in nickel are studied by using first-principles calculations. C/N/O changes occupying priority to first nearest neighbor Oct-site, which is related local strain effect chemical bonding between its adjacent atoms. Both binding energy calculation diffusion property analysis confirm that can trap nickel. Moreover, with lower larger trapping radii helium, has significant compared nitrogen carbon. With more...
The effects of alloy surface composition and pre-adsorbed oxygen on the behaviors H2O over Ni–Cr binary surfaces were investigated by using first-principles method. energies work functions for a series (111) with different Cr concentrations addressed to track reactivities. An enhancement effect reactivity from doping in top-surface layer (TSL) nickel substrates was identified. locations TSL dramatically promoted exothermic adsorption its decomposed products, including OH, O, H. calculated...
The surface properties of nickel-based alloys with different alloying compositions against aggressively corrosive species were systematically evaluated by using the segregated and non-segregated models designed through first-principles calculations. presence typical VIB elements such as chromium (Cr), molybdenum (Mo), tungsten (W) near nickel was identified to significantly enhance adsorption water molecules (H2O) their decomposed products (OH, O, H). doping patterns electronic structures...
Developing efficient and low-cost catalysts is crucial to hydrogen generation through water electrolysis. Oxygen-functionalized titanium carbide MXene holds tremendous potential in catalyzing the evolution reaction (HER). However, appropriate modulation approaches aiming at optimizing HER performance of these MXenes have not been systematically investigated. In this work, density functional theory was employed screen optimal operating conditions Tin+1CnO2 (n = 1–3) by introducing carbon (C)...
Abstract In this study, a new orthorhombic carbon structure with Ama2 symmetry, designated as O12 carbon, has been predicted on basis of the first-principles method. The thermal stability and dynamic were evaluated confirmed by combining ab initio molecular dynamics phonon spectra analyses. Meanwhile, mechanical properties compared other superhard allostrope like diamond, M-carbon, Bct-c4 Cco-C8, have also systematically investigated. With bulk modulus 351 GPa, shear 333 Vickers hardness 53...
Based on the first-principles method, we predict two new stable BN allotropes: C12-BN and O16-BN, which belong to cubic orthorhombic crystal systems, respectively. It is confirmed that both phases are thermally dynamically stable. The results of molecular dynamics simulations suggest highly even at high temperatures 1000 K. In case mechanical properties, has a bulk modulus 359 GPa hardness 43.4 GPa, making it novel superhard material with potential technological industrial applications....