A5021767311- 2D Materials and Applications
- Graphene research and applications
- MXene and MAX Phase Materials
- Advancements in Battery Materials
- Advanced Photocatalysis Techniques
- Electrocatalysts for Energy Conversion
- Advanced Battery Materials and Technologies
- Advanced battery technologies research
- Perovskite Materials and Applications
- Covalent Organic Framework Applications
- Boron and Carbon Nanomaterials Research
- Catalytic Processes in Materials Science
- Fuel Cells and Related Materials
- Supercapacitor Materials and Fabrication
- Conducting polymers and applications
- Molecular Junctions and Nanostructures
- Chalcogenide Semiconductor Thin Films
- Metal-Organic Frameworks: Synthesis and Applications
- Electrochemical Analysis and Applications
- Copper-based nanomaterials and applications
- Electronic and Structural Properties of Oxides
- Advanced Battery Technologies Research
- Nanomaterials for catalytic reactions
- ZnO doping and properties
- Advanced Image Fusion Techniques
Hefei National Center for Physical Sciences at Nanoscale
2016-2025
University of Science and Technology of China
2016-2025
Collaborative Innovation Center of Chemistry for Energy Materials
2016-2025
Hefei University
2014-2025
Jiangnan University
2014-2025
Nanchang Institute of Technology
2025
Observatoire de la Côte d’Azur
2025
Key Laboratory of Nuclear Radiation and Nuclear Energy Technology
2025
Shanghai Jiao Tong University
2020-2024
Sun Yat-sen University
2020-2024
Because of their high theoretical energy density and low cost, lithium–sulfur (Li–S) batteries are promising next-generation storage devices. The electrochemical performance Li–S largely depends on the efficient reversible conversion Li polysulfides to Li2S in discharge elemental S during charging. Here, we report our discovery that monodisperse cobalt atoms embedded nitrogen-doped graphene (Co–N/G) can trigger surface-mediated reaction polysulfides. Using a combination operando X-ray...
Lithium- or potassium-doped carbon nanotubes can absorb ∼20 ∼14 weight percent of hydrogen at moderate (200° to 400°C) room temperatures, respectively, under ambient pressure. These values are greater than those metal hydride and cryoadsorption systems. The stored in the lithium- be released higher sorption-desorption cycle repeated with little decrease sorption capacity. high hydrogen-uptake capacity these systems may derived from special open-edged, layered structure made methane, as well...
Exploring efficient and inexpensive oxygen evolution reaction (OER) electrocatalysts is of great importance for various electrochemical energy storage conversion technologies. Ni-based have been actively pursued because their promising activity earth abundance. However, the OER efficiency most developed has intrinsically limited due to low electrical conductivity poor active site exposure yield. Herein, we report metallic Ni3N nanosheets as an electrocatalyst first time. The first-principles...
Photocatalysis may provide an intriguing approach to nitrogen fixation, which relies on the transfer of photoexcited electrons ultrastable N≡N bond. Upon N2 chemisorption at active sites (e.g., surface defects), molecules have yet receive energetic toward efficient activation and dissociation, often forming a bottleneck. Herein, we report that bottleneck can be well tackled by refining defect states in photocatalysts via doping. As proof concept, W18O49 ultrathin nanowires are employed as...
Electrochemical reduction of carbon dioxide (CO2) to value-added products is a promising approach reduce CO2 levels and mitigate the energy crisis. However, poor product selectivity still major obstacle development reduction. Here we demonstrate exclusive Ni–N4 sites through topo-chemical transformation strategy, bringing unprecedentedly high activity for Topo-chemical by layer coating successfully ensures preservation structure maximum extent avoids agglomeration Ni atoms particles,...
Boron, a nearest-neighbor of carbon, is possibly the second element that can possess free-standing flat monolayer structures, evidenced by recent successful synthesis single-walled and multiwalled boron nanotubes (MWBNTs). From an extensive structural search using first-principles particle-swarm optimization (PSO) global algorithm, two monolayers (α1- β1-sheet) are predicted to be most stable α- β-types sheets, respectively. Both sheets greater cohesive energies than state-of-the-art...
We perform a comprehensive first-principles study of the electronic properties phosphorene nanoribbons, phosphorus nanotubes, multilayer sheets, and heterobilayers two-dimensional (2D) transition-metal dichalcogenide (TMDC) monolayer. The tensile strain electric-field effects on low-dimensional nanostructures are also investigated. Our calculations show that bare zigzag nanoribbons (z-PNRs) metals regardless ribbon width, whereas armchair (a-PNRs) semiconductors with indirect bandgaps...
Most recently, much attention has been devoted to 1T phase MoS2 because of its distinctive phase-engineering nature and promising applications in catalysts, electronics, energy storage devices. While alkali metal intercalation exfoliation methods have well developed realize unstable 1T-MoS2, but the aqueous synthesis for producing stable metallic remains big challenging. Herein, a new synthetic protocol is mass-produce colloidal 1T-MoS2 layers highly stabilized by intercalated ammonium ions...
We investigate the strain-dependent electronic and magnetic properties of two-dimensional (2D) monolayer bilayer MoS(2), as well 1D MoS(2) nanoribbons nanotubes using first-principles calculations. For 2D subjected to isotropic or uniaxial tensile strain, direct band gap changes an indirect that decreases monotonically with increasing strain; while under compressive original is enlarged first, followed by reduction when strain beyond -2%. The effect even stronger than strain. its reduces...
Engineering phosphorous anodes A focus of battery research has been the development a range lithium, sodium, and potassium cathodes, but improving anode materials is also an important goal. Silicon shown some promise for replacing graphite because its exceptional capacity, dramatic volume change during lithiation-delithiation processes often leads to failure. Jin et al. developed composite that made black in core covered with swollen polyaniline. In contrast previous efforts, bonding between...
Metal-free polymer photocatalysts have shown great promise for photocatalytic H2 O2 production via two-electron reduction of molecular . The other half-reaction, which is the oxidation water, still remains elusive toward production. However, enabling this water pathway critically important to improve yield and maximize atom utilization efficiency. It that introducing acetylene (CC) or diacetylene (CCCC) moieties into covalent triazine frameworks (CTFs) can remarkably promote This...
High-purity pyrrole-type FeN<sub>4</sub> sites have been developed as a superior oxygen reduction catalyst for proton exchange membrane fuel cells.
Two-dimensional covalent organic frameworks (2D COFs), an emerging class of crystalline porous polymers, have been recognized as a new platform for efficient solar-to-hydrogen energy conversion owing to their pre-designable structures and tailor-made functions. Herein, we demonstrate that slight modulation the chemical structure typical photoactive 2D COF (Py-HTP-BT-COF) via chlorination (Py-ClTP-BT-COF) fluorination (Py-FTP-BT-COF) can lead dramatically enhanced photocatalytic H2 evolution...
Searching two-dimensional (2D) half-metallic crystals that are feasible in experiment is essential to develop next-generation nanospintronic devices. Here, a 2D exfoliated MnPSe3 nanosheet with novel magnetism first proposed based on first-principles calculations. In particular, the evaluated low cleavage energy and high in-plane stiffness indicate free-standing can be from its bulk structure experiment. The an antiferromagnetic semiconductor at ground state, whereas both electron hole...
Direct water splitting into H2 and O2 using photocatalysts by harnessing sunlight is very appealing to produce storable chemical fuels. Conjugated polymers, which have tunable molecular structures optoelectronic properties, are promising alternatives inorganic semiconductors for splitting. Unfortunately, conjugated polymers that able efficiently split pure under visible light (400 nm) via a four-electron pathway not been previously reported. This study demonstrates 1,3-diyne-linked...
Aqueous zinc (Zn) batteries (AZBs) are widely considered as a promising candidate for next-generation energy storage owing to their excellent safety features. However, the application of Zn anode is hindered by severe dendrite formation and side reactions. Herein, an interfacial bridged organic-inorganic hybrid protection layer (Nafion-Zn-X) developed complexing inorganic Zn-X zeolite nanoparticles with Nafion, which shifts ion transport from channel in Nafion hopping mechanism interface....
Lithium-sulfur (Li-S) batteries are strongly considered as next-generation energy storage systems because of their high density. However, the shuttling lithium polysulfides (LiPS), sluggish reaction kinetics, and uncontrollable Li-dendrite growth severely degrade electrochemical performance Li-S batteries. Herein, a dual-functional flexible free-standing carbon nanofiber conductive framework in situ embedded with TiN-VN heterostructures (TiN-VN@CNFs) an advanced host simultaneously for both...
Abstract Urea electrooxidation with favorable thermodynamic potential offers great promise for decoupling H 2 /O evolution from sluggish water splitting, and simultaneously mitigating the problem of urea‐rich pollution. However, intrinsically slow kinetics six‐electron transfer process impels one to explore efficient catalysts in order enable widespread use this catalytic system. In response, taking CoS /MoS Schottky heterojunctions as proof‐of‐concept paradigm, a model modulate surface...
In many organic reactions, the O2 activation process involves a key step where inert ground triplet is excited to produce highly reactive singlet O2. It remains elusive what factor induces change in electron spin state of molecules, although it has been discovered that presence noble metal nanoparticles can promote generation this work, we first demonstrate surface facet parameter modulate on nanocrystals, by employing single-facet Pd nanocrystals as model system. The experimental...
We have performed a comprehensive first-principles study of the electronic and magnetic properties two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X S, Se). For M W; X=S, Se, all show semiconducting characteristics with an indirect bandgap exception WSe2/MoS2 heterobilayer which retains direct-band-gap character constituent monolayer. exhibit metallic characters. Particular attention this has been focused on engineering TMD materials...
Abstract Metal–support interaction is of great significance for catalysis as it can induce charge transfer between metal and support, tame electronic structure supported metals, impact adsorption energy reaction intermediates, eventually change the catalytic performance. Here, we report size-dependent reversal, that is, electrons from platinum single atoms to sulfur-doped carbons carbon supports conversely donate Pt when their size expanded ~1.5 nm cluster. The electron-enriched nanoclusters...
Lithium ion capacitors are new energy storage devices combining the complementary features of both electric double‐layer and lithium batteries. A key limitation to this technology is kinetic imbalance between Faradaic insertion electrode capacitive electrode. Here, we demonstrate that Li 3 VO 4 with low Li‐ion voltage fast kinetics can be favorably used for capacitors. N‐doped carbon‐encapsulated nanowires synthesized through a morphology‐inheritance route, displaying 0.2 1.0 V, high...
Photocatalytic selective oxidation reactions hold great promise for the design of high-value-added organic intermediates, but many these suffer from low conversion efficiency and selectivity due to uncontrollable processes. In view using photogenerated reactive oxygen species as key oxidant in a reaction, we propose that highly reaction can be achieved by modulating corresponding photocatalytic molecular (O2) activation Using cubic indium sulfide (β-In2S3) nanosheets model system, show...