A5061655505- MXene and MAX Phase Materials
- Organic Chemistry Cycloaddition Reactions
- Advanced Photocatalysis Techniques
- Sulfur-Based Synthesis Techniques
- Organoselenium and organotellurium chemistry
- Advanced Battery Materials and Technologies
- Advanced Battery Technologies Research
- Asymmetric Synthesis and Catalysis
- Advancements in Battery Materials
- Crystallography and molecular interactions
- ZnO doping and properties
- 2D Materials and Applications
- Nanomaterials for catalytic reactions
- Synthesis and Catalytic Reactions
- Perovskite Materials and Applications
- Vanadium and Halogenation Chemistry
- Synthesis and biological activity
- Advanced battery technologies research
- Surface Modification and Superhydrophobicity
- COVID-19 Clinical Research Studies
- Nanocluster Synthesis and Applications
- Coordination Chemistry and Organometallics
- Advanced Nanomaterials in Catalysis
- Cyclopropane Reaction Mechanisms
- Ionic liquids properties and applications
Hebei Normal University
2021-2025
Huazhong University of Science and Technology
2020-2024
Tongji Hospital
2023-2024
Shanghai Jiao Tong University
2024
Beijing Institute of Petrochemical Technology
2022-2024
Zhejiang University
2013-2021
Kunming Medical University
2020
First Affiliated Hospital of Kunming Medical University
2020
State Key Laboratory of Silicon Materials
2015
Humid hydrophobic ionic liquids, widely used as electrolytes, have narrowed electrochemical windows, because their water, absorbed on the electrode surface, gets involved in electrolysis. In this work, we performed molecular dynamics simulations to explore effects of adding Li-salt humid liquids water adsorbed surface. Results reveal that most molecules are pushed away from both cathode and anode, by salt. The remained is almost bound with Li+, which has significantly lowered activity....
Two-dimensional (2D) semiconductor heterostructures are key building blocks for many electronic and optoelectronic devices. Reconfiguring the band-edge states modulating their interplay with charge carriers at interface in a continuous manner have long been sought yet challenging. Here, using organic semiconductor-incorporated 2D halide perovskites as model system, we realize manipulation of distribution via mechanical-rather than chemical or thermal-regulation. Compression induces...
As important noncovalent interactions, halogen bonds have been widely used in material science, supramolecular chemistry, medicinal organocatalysis, and other fields. In the past 15 years, bond catalysis has become a developed field organocatalysis for catalysts' advantages of being environmentally friendly, inexpensive, recyclable. Halogen can induce various organic reactions, powerful alternative to fully explored hydrogen catalysis. From physical chemistry view, this perspective provides...
Efficient removal of broad-spectrum organic pollutants is crucial in wastewater treatment. This research focuses on the synthesis three-dimensional TiVCTX MXene/graphene nanosheet-based aerogels, known as TiVCTX/GAs, using a straightforward hydrothermal self-assembly method, followed by freeze-drying. The integration bimetallic MXene and graphene aerogel TiVCTX/GAs results an impressive capability for multiple contaminants from wastewater. exhibit effective adsorption various dyes drugs,...
Extreme fast charging (XFC), with a recharging time of 15 min, is the key to mainstream adoption battery electric vehicles. Lithium metal, in meantime, has re-emerged as ultimate anode because its ultrahigh specific capacity and low electrochemical potential. However, lithium-ion concentration near lithium electrode surface can result uncontrolled dendrite growth aggravated by high plating current densities. Here, we reveal beneficial effects an adaptively enhanced internal field constant...
The carbon-coated nanoarray structure can be stabilized in alkaline solution, which inhibits the dendrite growth and improves cell lifetime.
Abstract Chalcogen bond catalysis, particularly cationic hypervalent chalcogen is considered to be an effective strategy for organocatalysis. In this work, the catalysis Povarov reaction between N‐benzylideneaniline and ethyl vinyl ether was investigated by density functional theory (DFT). The catalytic involves cycloaddition process proton transfer process, rate‐determining step process. Cationic tellurium derivatives bearing CF 3 F groups exhibit superior activity. For step, Gibbs free...
Owing to high electrical conductivity and ability reversibly host a variety of inserted ions, 2D metallic molybdenum disulfide (1T‐MoS 2 ) has demonstrated promising energy storage performance when used as supercapacitor electrode. However, its charge mechanism is still not fully understood, in particular, how the interlayer spacing 1T‐MoS would affect capacitive performance. In this work, molecular dynamics simulations with ranging from 0.615 1.615 nm have been performed investigate...
The strong excitonic effect in monolayer transition-metal dichalcogenides (TMDs) endows them with intriguing optoelectronic properties but also short-lived population and valley polarization. Exciton dissociation by interfacial charge transfer has been shown as an effective approach to prolonging excited-state lifetimes. Herein, ultrafast spectroscopy building-block molecule C60, we investigated exciton polarization dynamics the prototypical WSe2/C60 inorganic–organic hybrid. We show that...
Chalcogen bond catalysis is gaining recognition in organocatalysis due to its environmental benignity and relatively low cost. The hypervalent selenium salts can drive the hydroarylation of styrene phenol, chalcogen···π has been proposed [Zhang, Q. Angew. Chem., Int. Ed. 2022, 61, e202208009]. In this work, phenol catalyzed by cyclic selenium-based catalysts investigated density functional theory (DFT) calculations, two activation modes are observed: one on (π-activation mode), other...
Nanozyme with the "dual identity" of enzymes and nanomaterials is an emerging strategy to mimic natural in bio-nanotechnology. However, how improve nanozyme-based therapeutic efficiency vivo still remains a challenge. Herein, we fabricated nanozyme platform (Fe@Fe3O4@Cu2-xS, named as MNPs) possessing peroxidase enzyme-like activity then introduced β-lapachone (La) assemble effective (LaMNPs) boost production reactive oxygen species upregulate level H2O2 by released La acidic tumor...
Both metal-involved halogen bond activation and classical are investigated in gold( i ) catalysis of the propargylic amide cyclization reaction.
Recently, chalcogen bond catalysts with telluronium cations have garnered considerable attention in organic reactions. In this work, catalysis on the bromination reaction of anisole N-bromosuccinimide (NBS) cationic has been explored density functional theory (DFT). The catalytic is divided into two stages: bromine transfer step and proton step. Based computational results, one can find rate-determining Moreover, present study elucidates that a stronger between NBS will give better...
The iodine( i )-based and iii halogen bond catalysis on the Friedel–Crafts reaction were investigated compared.
Abstract Chalcogen bond (ChB) catalysis, as a new type in the field of non‐covalent has become hot research topic organocatalysis recent years. In present work, we investigated catalytic performance series hypervalent ChB catalysis based on intramolecular Aza‐Michael reaction aminochalcone. The includes carbon‐nitrogen coupling step (key step) and proton transfer step. mono‐dentate pentafluorophenyl chalcogen donor 1 was comparable to that bis‐dentate 4 , stronger than donors 2 3 . formation...
Synthetically valuable 3-haloindol-2-amines were prepared from readily available 3-diazoindolin-2-imines and a variety of alkyl halides through the palladium-catalyzed reaction. The broad substrate scope both diazo compounds halides, mild reaction conditions, high efficiency are main characters this method. synthesized can be conveniently transformed to more complex indole derivatives.
Recently, the green and high efficient of chalcogen bond (ChB) catalysis has been aroused great interest. In this work, ChB applied to intramolecular Rauhut-Currier (RC) reaction bis(enones). The mechanism was divided into four processes: promoter addition process, carbon-carbon coupling hydrogen transfer elimination process. This study shows that catalyst could act on reactant in RC reaction, respectively. And path 2 direct acting is considered be a relatively favorable channel due lower...
Abstract Recently, the halogen bonding catalysis in Aza‐Diels‐Alder reaction is increasing gloriously. In this work, mechanism of between imine and Danishefsky's diene catalyzed by N‐heterocyclic imidazole bond donors has been explored with density functional theory. It revealed that two possible pathways: [4+2] cycloaddition pathway Mannich pathway, agreement experimental predictions. Formation iodine atom catalysts N imine, results lower energy barriers more favorable reaction. The...