A5069207859- Graphene research and applications
- 2D Materials and Applications
- Electronic and Structural Properties of Oxides
- Semiconductor materials and devices
- Quantum and electron transport phenomena
- MXene and MAX Phase Materials
- Magnetic properties of thin films
- Boron and Carbon Nanomaterials Research
- ZnO doping and properties
- Magnetic and transport properties of perovskites and related materials
- Advanced Condensed Matter Physics
- Topological Materials and Phenomena
- Molecular Junctions and Nanostructures
- Multiferroics and related materials
- Ferroelectric and Piezoelectric Materials
- Metallic Glasses and Amorphous Alloys
- Semiconductor materials and interfaces
- Quantum Dots Synthesis And Properties
- Semiconductor Quantum Structures and Devices
- Surface and Thin Film Phenomena
- Advanced Chemical Physics Studies
- Heusler alloys: electronic and magnetic properties
- Catalytic Processes in Materials Science
- Perovskite Materials and Applications
- Magnetic Properties of Alloys
National University of Singapore
2016-2025
North University of China
2025
Peking University
2006-2025
Sichuan University
2020-2025
Wuhan University of Technology
2019-2025
Peking University Sixth Hospital
2024-2025
First Affiliated Hospital of Xi'an Jiaotong University
2025
Ruijin Hospital
2025
Shanghai Jiao Tong University
2025
Ingenierie des Materiaux polymeres
2025
Graphene was deposited on a transparent and flexible substrate, tensile strain up to ∼0.8% loaded by stretching the substrate in one direction. Raman spectra of strained graphene show significant red shifts 2D G band (−27.8 −14.2 cm−1 per 1% strain, respectively) because elongation carbon−carbon bonds. This indicates that uniaxial has been successfully applied graphene. We also proposed that, applying graphene, tunable gap at K point can be realized. First-principle calculations predicted...
We have clearly discriminated the single-, bilayer-, and multiple-layer graphene (<10 layers) on Si substrate with a 285 nm SiO2 capping layer by using contrast spectra, which were generated from reflection light of white source. Calculations based Fresnel's law are in excellent agreement experimental results (deviation 2%). The image shows reliability efficiency this new technique. spectrum is fast, nondestructive, easy to be carried out, unambiguous way identify numbers layers sheet....
We report ferromagnetism in carbon-doped ZnO. Our first-principles calculations based on density functional theory predicted a magnetic moment of 2.02 mu(B) per carbon when substitutes oxygen ZnO, and an ferromagnetic coupling among moments the dopants. The theoretical prediction was confirmed experimentally. C-doped ZnO films deposited by pulsed-laser deposition showed with Curie temperatures higher than 400 K. measured content carbide [(1.5-3.0) carbon] agreement prediction. magnetism is...
As an electrical energy storage device, supercapacitor finds attractive applications in consumer electronic products and alternative power source due to its higher density, fast discharge/charge time, low level of heating, safety, long-term operation stability, no disposable parts. This work reviews the recent development based on carbon nanotubes (CNTs) their composites. The purpose is give a comprehensive understanding advantages disadvantages nanotubes-related materials find ways for...
Effects of stacking behavior hexagonal basal layers to the structural stability and electronic properties h-BN were investigated thoroughly using first-principles calculations based on density-functional theory local-density approximation. Three five possible structures with ``good'' found be stable or substable. Considering that intrinsic fault exist in real crystals which results mixed behavior, experimentally observed large interlayer spacing disorder such as PBN t-BN can understood. A...
The catalytic activity of Au-embedded graphene is investigated by the first-principle method using CO oxidation as a benchmark probe. first step catalyzed most likely to proceed with Langmuir−Hinshelwood reaction (CO + O2 → OOCO CO2 +O), and energy barrier low 0.31 eV. second would be Eley−Rideal O CO2) much smaller (0.18 eV). partially filled d states Au are localized around Fermi level due interactions between neighboring carbon atoms. high may attributed electronic resonance among CO, O2,...
We demonstrate, both theoretically and experimentally, that cation vacancy can be the origin of ferromagnetism in intrinsic dilute magnetic semiconductors. The vacancies controlled to tune ferromagnetism. Using Li-doped ZnO as an example, we found while Li itself is nonmagnetic, it generates holes ZnO, its presence reduces formation energy Zn vacancy, thereby stabilizes zinc vacancy. Room temperature with p type conduction was observed pulsed laser deposited ZnO:Li films certain doping...
Artificial nitrogen fixation through the reduction reaction (NRR) under ambient conditions is a potentially promising alternative to traditional energy-intensive Haber–Bosch process. For this purpose, efficient catalysts are urgently required activate and reduce into ammonia. Herein, by combination of experiments first-principles calculations, we demonstrate that copper single atoms, attached in porous nitrogen-doped carbon network, provide highly NRR electrocatalysis, which compares...
We report an investigation on the adsorption of small gas molecules (O2, CO, NO2 and NH3) pristine various transition metal embedded graphene samples using a first-principles approach based density-functional theory (DFT). The most stable geometry, energy, charge transfer, magnetic moment these with different elements are thoroughly discussed. Our calculations found that in general can significantly enhance interactions between graphene, for applications graphene-based catalysis, Ti Au may...
Abstract Among van der Waals layered ferromagnets, monolayer vanadium diselenide (VSe 2 ) stands out due to its robust ferromagnetism. However, the exfoliation of VSe is challenging, not least because flake extremely unstable in air. Using an electrochemical approach with organic cations as intercalants, 1T‐VSe flakes are successfully obtained from bulk crystal at high yield. Thiol molecules further introduced onto surface passivate exfoliated flakes, which improves air stability for...
Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics reduced dimension and appealing applications. Systematic discovery of functional 2D has focus many studies. Here, we present large dataset materials, with more than 6,000 monolayer structures, obtained from both top-down bottom-up procedures. First, screened all bulk database Materials Project for layered structures by topology-based algorithm theoretically exfoliated them into...
II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic (DMS). Based on our first-principle calculations, nitrogen ZnO, carbon AlN predicted to be ferromagnetic. The ferromagnetism of such DMS materials can attributed a p-d exchange-like p-p coupling interaction which is derived from the similar symmetry wave function between impurity (p-like t_2) valence (p) states. We also propose co-doping mechanism, using beryllium...
Abstract For mass production of high‐purity hydrogen fuel by electrochemical water splitting, seawater electrolysis is an attractive alternative to the traditional freshwater due abundance and low cost in nature. However, undesirable chlorine ion oxidation reactions occurring simultaneously with greatly hinder overall performance electrolysis. To tackle this problem, electrocatalysts high activity selectivity purposely modulated coordination alkaline environment are urgently required....
Graphene has attracted much interest in both academia and industry. The challenge of making it semiconducting is crucial for applications electronic devices. A promising approach to reduce its physical size down the nanometer scale. Here, we present surface-assisted bottom-up fabrication atomically precise armchair graphene nanoribbons (AGNRs) with predefined widths, namely 7-, 14- 21-AGNRs, on Ag(111) as well their spatially resolved width-dependent structures. STM/STS measurements reveal...
Previous research of molybdenum-based electrocatalysts for nitrogen reduction reaction (NRR) has been largely considered on either isolated Mo single atoms (MoSAs) or carbide particles (e.g., Mo2 C) separately, while an integrated synergy (MoSAs-Mo2 the two never considered. The theoretical calculations show that and C nanoparticles exhibit, respectively, different catalytic hydrogen evolution NRR selectivity. Therefore, a new role-playing synergistic mechanism can be well enabled multistep...
By using density-functional theory and many-body perturbation based first-principles calculations, we have systematically investigated the electronic optical properties of monolayer group-IV monochalcogenides $MX$ ($M=\mathrm{Ge},\phantom{\rule{4pt}{0ex}}\mathrm{Sn}$; $X=\mathrm{S},\phantom{\rule{4pt}{0ex}}\mathrm{Se},\phantom{\rule{4pt}{0ex}}\mathrm{Te}$). All monolayers are predicted to be indirect gap semiconductors, except GeSe monolayer, which has a direct 1.66 eV. The carrier...
Topological insulators (TIs) are a new type of electronic materials in which the nontrivial insulating bulk band topology governs conducting boundary states with embedded spin-momentum locking. Such edge more robust two-dimensional (2D) TI against scattering by nonmagnetic impurities than its three-dimensional (3D) variant, because 2D two helical protected from only possible backscattering. This makes family better candidate for coherent spin transport and related applications. While several...
Phosphorene, an emerging elemental 2D direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other materials such as graphene MoS 2 , is promising for novel nanoelectronic optoelectronic applications. Phonons, one of the most important collective excitations, are at heart device performance, their interactions electrons photons govern carrier mobility light‐emitting efficiency material. Here, through a detailed first‐principles study,...
Abstract Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first‐principles calculations, spontaneous electric polarization and ferroelectricity 2D elemental group‐V (As, Sb, Bi) monolayer with the puckered lattice structure similar to phosphorene revealed. These are first example of ferroelectric materials. The due distortion atomic layer buckling has quite sizable values, comparable or even larger than that recently SnTe. Interestingly,...
Spintronics holds the promise for future information technologies. Devices based on manipulation of spin are most likely to replace current silicon complementary metal‐oxide semiconductor devices that charge. The challenge is identify or design materials can be used generate, detect, and manipulate spin. Since successful isolation graphene other two‐dimensional ( 2D ) materials, there has been a strong focus spintronics due their attractive properties, much progress made, both theoretically...