A5102836204- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Advanced Photocatalysis Techniques
- High-pressure geophysics and materials
- Inorganic Fluorides and Related Compounds
- TiO2 Photocatalysis and Solar Cells
- Chemical Reactions and Isotopes
- Perovskite Materials and Applications
- Solid-state spectroscopy and crystallography
- Air Quality Monitoring and Forecasting
- Atmospheric chemistry and aerosols
- Air Quality and Health Impacts
- Ammonia Synthesis and Nitrogen Reduction
- 2D Materials and Applications
- Geological and Geochemical Analysis
- Radiation Effects and Dosimetry
- Advanced Chemical Physics Studies
- Crystal Structures and Properties
- Chemical Synthesis and Characterization
- Catalysis and Oxidation Reactions
- Catalytic Processes in Materials Science
- Nuclear Physics and Applications
- Structural Response to Dynamic Loads
- Vanadium and Halogenation Chemistry
- Geological Studies and Exploration
Shandong University of Traditional Chinese Medicine
2025
Jiangsu Normal University
2018-2024
Eastern Institute of Technology, Ningbo
2024
Hong Kong Polytechnic University
2024
Guizhou Electric Power Design and Research Institute
2024
Anhui Agricultural University
2020-2023
Hainan University
2019-2023
Beijing Institute of Petrochemical Technology
2021-2022
China Academy of Safety Sciences and Technology
2021-2022
Hubei University of Technology
2017-2020
Motivated from the recent success in synthesizing bismuth-based double perovskites (J. Am. Chem. Soc. 2016, 138, 2138–2141), we perform a comprehensive study of interfacial properties Cs2AgBiX6 (X = Br, Cl) and TiO2 interfaces. The possess desirable electronic optical as excellent light absorber thus may serve lead-free alternatives to organic–inorganic perovskites. On basis density functional theory computation, systematically Cs2BBiX6 (B Ag, Cu; X Cl)/TiO2 interfaces analyze trend charge...
Abstract. Volatile organic compounds (VOCs) tend to be consumed by atmospheric oxidants, resulting in substantial photochemical loss during transport. An observation-based model was used evaluate the influence of VOCs on sensitivity regime and mechanisms ozone formation. Our results showed that a VOC-limited based observed VOC concentrations shifted transition with initial concentration (PIC-VOCs) morning. The net formation rate underestimated 3 ppb h−1 (∼36 d−1) measured when compared...
Hydrogen-rich materials have attracted great interest since the recent discovery of superconductivity at 203 K in highly compressed hydrogen sulfide. To probe role covalent bonding determining ${T}_{\mathrm{c}}$ hydrogen-related superconductors, we systematically studied crystal structure and ${\mathrm{H}}_{6}\mathrm{SSe}$, a hypothetical compound derived from ${\mathrm{H}}_{3}\mathrm{S}$ with half its S atoms replaced by group neighbor Se. First-principles searches identify three...
Interface engineering has become a vital method in accelerating the development of perovskite solar cells past few years. To investigate effect different contacted surfaces light absorber with an electron transporting layer, TiO2, we synthesize CsPbBr3/TiO2 thin films two interfaces (CsBr/TiO2 and PbBr2/TiO2). Both interfacial heterostructures exhibit enhanced visible absorption, CsBr/TiO2 film presents higher absorption than PbBr2/TiO2 interface, which is attributed to formation interface...
The reasonableness of landslide risk analysis results for forest slopes poses a significant challenge due to the reliability environmental data and complex factors affecting stability large-scale slopes. This study introduces novel approach assessing impact critical on examined include topsoil thickness, soil strength, hydrological conditions, vegetation. We utilize TRIGRS program, widely used tool in geotechnical engineering, analyze safety factor large slope covering an area 100 hectares,...
Kelch ECH-associating protein 1 (Keap1)-Nuclear factor erythroid 2-related 2 (Nrf2) axis is crucial for regulating oxidative stress and inflammatory responses in acute pneumonia. Sphaeropsidin A (SA) a antioxidant diterpenoid isolated from Sphaeropsis sapinea f. sp. cupressi, discovered as novel Nrf2 agonist by our research group previously. However, the accurate function mechanism of SA treating pneumonia are still unknown. The therapeutic effect was evaluated LPS-induced mice. underlying...
By using the principles of classical mechanics, specific rates k′ bimolecular reactions which proceed without activation energies were obtained by taking average πbc2g, where bc is critical impact parameter and g relative molecular velocity. The result k′=(β/μ)(kT)(s−4)/28C2/8.Here, C s are constants appearing in attractive potential, C/rs(s>2), between two reacting molecules separated a distance r, β dimensionless quantity involving s, μ reduced mass, other symbols have their usual...
We propose a universal dimer-doping strategy to improve the photocatalytic water splitting activity of Ru1/TiO2 single-atom catalysts, in which N atom is simultaneously doped. First-principles calculations show that dopants promote substitution Ti with Ru on anatase TiO2(101) surface by chemical bonding between and N, increase stability system. Isolated Ru1 atoms act as active sites for reduction protons, Ru1-N1/TiO2 has hydrogen evolution comparable Pd. The impurity bands within band gap...
Noble gas elements exhibit chemical reactivity under high pressure, forming novel compounds through reactions with other substances, which has become a recent focus in condensed matter physics research. By combining first-principles calculations crystal structure prediction methods, we propose six unconventional Xe-K namely ${\mathrm{Xe}}_{4}\mathrm{K}$, ${\mathrm{Xe}}_{3}\mathrm{K}$, ${\mathrm{Xe}}_{3}{\mathrm{K}}_{2}$, ${\mathrm{Xe}}_{2}\mathrm{K}$, XeK, and ${\mathrm{XeK}}_{4}$. In...
Disulfide macrocycles are ideal candidates for engineering titanium dioxide with sulfur a utilization rate over 95% to photo-catalytically split water into hydrogen under visible light due their narrowed bandgap and extended absorption.
The structural diversity of hydrogen under high pressure is crucial for understanding its physical properties, especially the superconductivity. Here, a combination crystal structure prediction and first-principle calculations has predicted metastable ${\mathrm{H}}_{2}\mathrm{He}$ at ultrahigh 800 GPa, where H atoms are arranged in graphenelike structure. shows weak superconductivity with critical temperature 4 K, which significantly increases to 155 201 K electron doping 0.6 1.2 $e$,...
The application of two-dimensional (2D) graphitic carbon-based materials in photocatalysis has been limited to date, because the nature and role π-conjugated moieties them remain unclear. Herein we propose study bilayer BC3/C3N BC3/BC6N van der Waals heterostructures as direct Z-scheme photocatalysts for overall water splitting using density functional theory calculations. roles polar formation, stacking configuration, electronic optical properties are discussed. It is shown that BCN...
Previous studies have suggested that high pressure may induce chemical activity in noble gases (He and Xe), resulting the emergence of high-pressure compounds containing these elements. By using first-principles theory crystal structural prediction methods, we propose six unconventional stoichiometries, namely, ${\mathrm{Na}}_{2}\mathrm{Xe}$, NaXe, ${\mathrm{Na}}_{2}{\mathrm{Xe}}_{3}, {\mathrm{NaXe}}_{2}, {\mathrm{NaXe}}_{3}$, ${\mathrm{NaXe}}_{4}$, can be stabilized at pressures ranging...
Stable compounds comprising nitrogen, sulfur, and hydrogen elements hold significant promise in hydride superconductors astrophysical matter. Herein, we utilize a blend of structure prediction techniques first-principles calculations to comprehensively explore the N--H--S system. We present discovery two ionic compounds, ${\mathrm{NH}}_{4}\mathrm{S}$ ${\mathrm{NH}}_{4}{\mathrm{S}}_{2}$, characterized by similar ${\mathrm{NH}}_{4}$ configurations but distinct arrangements sulfur atoms. As...
The photoluminescence (PL) variations of organic-inorganic hybrid lead halide perovskites in different atmospheres are well documented, while the fundamental mechanism still lacks comprehensive understandings. This study reports reversible optical and electrical properties methylammonium bromide (MAPbBr3 or CH3NH3PbBr3) single crystals caused by air infiltration. With change surrounding atmosphere from to vacuum, PL intensity perovskite decreases, conductivity increases. By means...
Noble gas elements have been illustrated to exhibit chemical activity form unconventional compounds at high pressure. In this paper, we report combined structure prediction and first-principles calculations propose an unexpected stoichiometry of ${({\mathrm{NH}}_{3})}_{2}\mathrm{Xe}$ that becomes energetically stable >11 GPa. Here, ${\mathrm{NH}}_{3}$ in the compound remains its molecular up least 300 GPa, indicating incorporation Xe could suppress ionization ${\mathrm{NH}}_{3}$. Ab initio...
A naphthimide derivative was synthesized and sensitized with TiO 2 to produce a hybrid photocatalyst an ultra-high hydrogen production efficiency (10.615 mmol g −1 h ) under visible light.
Since 2010, the Tembusu virus (TMUV) has been highly prevalent in China, causing significant economic losses to poultry industry. In 2022, a suspected outbreak of TMUV occurred at goose farm located Anhui Province. A strain TMUV, HQ-22, was isolated from infected geese. Phylogenetic analysis using E gene HQ-22 demonstrated its affiliation with cluster 3, less commonly reported comparison main circulating cluster, 2. Through envelope (E) protein other typical strains, mutation 157th amino...
Noble gas compounds have attracted significant research attention, mainly due to their intriguing chemical behavior under high-pressure conditions. In this paper, we identify a compound, $C2/m\text{\ensuremath{-}}{\mathrm{Xe}}_{3}{\mathrm{CO}}_{2}$, through synergistic approach combining particle-swarm optimization empowered structure search and first-principles calculations within wide pressure range of 200--400 GPa, covering the Earth's core. This compound features layered...