A5008752708- 2D Materials and Applications
- Graphene research and applications
- MXene and MAX Phase Materials
- Boron and Carbon Nanomaterials Research
- Advanced Photocatalysis Techniques
- Electrocatalysts for Energy Conversion
- Fullerene Chemistry and Applications
- Superconductivity in MgB2 and Alloys
- Copper-based nanomaterials and applications
- Perovskite Materials and Applications
- Hydrogen Storage and Materials
- Electronic and Structural Properties of Oxides
- ZnO doping and properties
- Hybrid Renewable Energy Systems
- Machine Learning in Materials Science
- Iron-based superconductors research
- Conducting polymers and applications
- Organic Light-Emitting Diodes Research
- Advancements in Battery Materials
- Heusler alloys: electronic and magnetic properties
- Magnetic and transport properties of perovskites and related materials
- Graphene and Nanomaterials Applications
- solar cell performance optimization
- Membrane Separation Technologies
- Nanomaterials for catalytic reactions
South China University of Technology
2016-2025
University of Hong Kong
2020
Yanshan University
2018-2020
State Council of the People's Republic of China
2020
State Key Laboratory of Metastable Materials Science and Technology
2019-2020
Abstract Cocatalyst engineering with non‐noble metal nanomaterials can play a vital role in low‐cost, sustainable, and large‐scale photocatalytic hydrogen production. This research adopts slow carburization simultaneous hydrocarbon reduction to synthesize carbon‐encapsulated Mo/Mo 2 C heterostructure nanoparticles, namely C@C cocatalyst. Experimental theoretical investigations indicate that the cocatalysts have nearly ideal hydrogen‐adsorption free energy (Δ G H* ), which results accelerated...
The two-dimensional boron monolayers were reported to be metallic both in previous theoretical predictions and experimental observations. Unexpectedly, we have first found a family of with the novel semiconducting property as confirmed by first-principles calculations quasi-particle G0W0 approach. We demonstrate that connected network hexagonal vacancies dominates gap opening for in-plane s+px,y pz orbitals, which various are designed realize band engineering potential applications...
FeNi intermetallic compound nanoparticles wrapped by N-doped graphitized carbon is used as a novel cocatalyst for boosting photocatalytic hydrogen evolution performance of g-C<sub>3</sub>N<sub>4</sub>.
Using density-functional theory calculations, we investigated the adsorption of transition-metal (TM) atoms (TM = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) on carbon doped hexagonal boron nitride (BN) sheet corresponding cage (B${}_{12}$N${}_{12}$). With substitution nitrogen, Mn were energetically favorable to be dispersed BN nanostructures without clustering or formation TM dimers, due strong binding between substrate, which contains half-filled levels above valence bands maximum. The with Sc...
B<sub>2</sub>MgB<sub>2</sub> and B<sub>4</sub>MgB<sub>4</sub> are predicted to exhibit good phonon-mediated superconductivity with <italic>T</italic><sub>c</sub> of 23.2 K 13.3 K, respectively.
A copper (Cu) material is catalytically active for formaldehyde (HCHO) dehydrogenation to produce H2, but the unsatisfactory efficiency and easy corrosion hinder its practical application. Alloying with other metals coating a carbon layer outside are recognized as effective strategies improve catalytic activity long-term durability of nonprecious metal catalysts. Here, highly dispersed CuNi alloy–carbon core–shell nanoparticles (CuNi@C) have been developed robust catalyst efficient H2...
Although tremendous progress has recently been made in quasi-2D perovskite light-emitting diodes (PeLEDs), the performance of red PeLEDs emitting at ≈650-660 nm, which have wide prospects for application photodynamic therapy, is still limited by an inefficient energy transfer process between layers. Herein, a symmetric molecule 3,3'-(9H-fluorene-9,9-diyl)dipropanamide (FDPA) designed and developed with two functional acylamino groups incorporated into perovskites as additive achieving...
Abstract Perovskite light‐emitting diodes (PeLEDs) have demonstrated significant potential in the display sector, attributed to their wide color gamut, narrow emission spectra, and cost‐effectiveness. Despite rapid advancements red green PeLEDs, attainment of high brightness external quantum efficiency (EQE) for blue PeLEDs remains a considerable challenge, which substantially limits practical applications white lighting optical communication. In this study, method passivation quasi‐2D...
Finding tunable van der Waals (vdW) ferromagnets that operate at above room temperature is an important research focus in physics and materials science. Most vdW magnets are only intrinsically magnetic far below magnetism with square-shaped hysteresis has yet to be observed. Here, we report a quasi-2D magnet Cr_{1.2}Te_{2} observed (290 K). This was tuned via protonic gate electron doping concentration up 3.8×10^{21} cm^{-3}. We nonmonotonic evolutions both coercivity anomalous Hall...
Fluorination is an effective process to open the band gap of graphene (Gr), which beneficial development optoelectronic devices working in wide wavelength. Herein, we report a dual-mode broadband photodetector (PD) by integrating fluorinated (F-Gr) with silicon (Si). It found that when photoconductive mode, F-Gr/Si heterojunction exhibited remarkable photoresponse over spectral region from ultraviolet (UV), visible near infrared (NIR) light high responsivity (R) 1.9 × 107 A W–1 and specific...
The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B30-40 were reported to be planar fragments triangular lattice with proper concentrations vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes distributions vacancies. As a result, determined structures Bn n = 30-51 found stable B49...
Boron monolayers have been increasingly attractive, while it is still a challenge to understand their structural stabilities, due electron deficiency and multi-center bonds.
The tunable properties of materials originate from variety structures; however, it is still a challenge to give an accurate and fast evaluation stabilities for screening numerous candidates. Herein, we propose atom classification model describe the multicomponent based on structural recognition, in which atoms are classified estimate total energies. Taking two-dimensional planar C1-xBx C1-2x(BN)x as examples, have found that test error energies about 3 meV per atom. Notably, distributions...
Using the first-principles calculations, we have investigated effects of charge doping and biaxial strain on density wave (CDW) monolayer octahedral titanium disulfide (1T-TiS2). Our results show that proper electron can suppress (2×2) CDW instability larger promotes a (7×3) phase involving spontaneous breaking hexagonal crystal symmetry. Strain affect stability doped 1T-TiS2, but neither compressive nor tensile alone stabilize pristine one. When TiS2 layers are decorated by metal atoms,...
The ordered states of Sc-intercalated bilayer graphene are modulated by the biaxial strain and chemical potential Sc.