A5101528163- Advanced Photocatalysis Techniques
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Gas Sensing Nanomaterials and Sensors
- Crystallography and molecular interactions
- ZnO doping and properties
- Electronic and Structural Properties of Oxides
- Crystal structures of chemical compounds
- 2D Materials and Applications
- TiO2 Photocatalysis and Solar Cells
- Advanced Nanomaterials in Catalysis
- Nonlinear Optical Materials Research
- MXene and MAX Phase Materials
- Perovskite Materials and Applications
- Microbial Metabolic Engineering and Bioproduction
- Quantum Dots Synthesis And Properties
- Nanocluster Synthesis and Applications
- Metamaterials and Metasurfaces Applications
- Solid-state spectroscopy and crystallography
- Crystal Structures and Properties
- Phenothiazines and Benzothiazines Synthesis and Activities
- Copper-based nanomaterials and applications
- Catalytic Processes in Materials Science
- Ga2O3 and related materials
- Molecular Spectroscopy and Structure
China Jiliang University
2019-2025
Shandong Food Fermentation Industry Research and Design Institute
2017-2024
Beijing University of Chemical Technology
2014-2024
Shandong Academy of Sciences
2024
Qilu University of Technology
2024
North University of China
2024
Huaibei Normal University
2011-2023
Chinese Academy of Sciences
2014-2022
Shanghai Institute of Ceramics
2014-2022
Ministry of Education of the People's Republic of China
2020
In general, anatase TiO2 exhibits higher photocatalytic activities than rutile TiO2. However, the reasons for differences in activity between and are still being debated. this work, band structure, density of states, effective mass photogenerated charge carriers anatase, brookite investigated by first-principle functional theory calculation. The results indicate that appears to be an indirect gap semiconductor, while belong direct semiconductor category. Indirect a longer lifetime...
P-doped g-C<sub>3</sub>N<sub>4</sub> has been successfully synthesized using hexachlorocyclotriphosphazene, a low cost and environmentally benign compound, as phosphorus source, guanidiniumhydrochloride precursor, <italic>via</italic> thermally induced copolymerization route.
Constructing a TiO2 based heterostructure is very effective strategy for enhancing photocatalytic performance. The details of the electronic structure, interfacial interaction, and photogenerated carrier separation are important explaining properties heterostructure. Herein, density states, charge distribution, band offset monolayer g-C3N4/TiO2 heterojunction systematically investigated through hybrid DFT method. Results indicated that valence conduction were 0.40 0.18 eV, respectively....
Graphite-like carbon nitride (g-C3N4)-based heterostructures have attracted much attention because of their prominent photocatalytic performance. However, theoretical understanding on the relationship interface and enhanced activity is still lacking. In this study, we systematically calculated energy band structure charge transfer g-C3N4/CdS heterojunction using hybrid density functional approach. The interaction between g-C3N4 CdS (110) surface was explored. Results indicated that were in...
The electronic structure and optical properties of Ag3PO4 were studied by hybrid density functional theory. results indicated that the band gap is 2.43 eV, which agrees well with experimental value 2.45 eV. conduction bands are mainly attributable to Ag 5s 5p states, while valence dominated O 2p 4d states. highest edge potential was 2.67 V (vs. normal hydrogen electrode), has enough driving force for photocatalytic water oxidation pollutants degradation. absorption spectrum showed a visible...
The g-C3N4-based composite structure exhibits excellent photocatalytic performance. However, their photogenerated carrier transfer and reaction mechanism were unclear. In this study, a 2D/2D g-C3N4/SnS2 heterojunction was systematically investigated by hybrid density functional approach. Results indicated that the staggered band alignment structure, bending occurred at interface. A built-in electric field from g-C3N4 surface to SnS2 formed interfacial interaction. During visible-light...
In this article, two kinds of pharmaceutical crystallized polymorphs ethenzamide (ETZ) and saccharin (SAC) cocrystal were synthesized by both solution crystallization solid-state grinding methods. Crystal structure analysis revealed that the primary hydrogen-bonding heterosynthon amide–imide in form I II ETZ-SAC was same, but secondary interactions extended network different. addition, ETZ, SAC, their physical mixture, characterized using terahertz (THz) Raman spectroscopy. The experimental...
Perovskite-structured (LaxBa1−x)SnO3 (x = 0–0.20) (LBSO) films were epitaxially grown on MgO substrates by pulsed laser deposition, and the structural, electrical, optical properties of investigated. Results show that these exhibit a high transmittance more than 90% in visible region dopant concentration-dependent metal-semiconductor transition (MST). With increasing La content from 0 to 0.20 LBSO films, MST temperatures decrease 105 32 K then increase again regularly. The semiconducting...
In recent years, bound states in the continuum (BICs) have attracted attention of researchers because they are located above light cone without leakage and infinite lifetimes. this study, we propose examine a plasmonic metasurface based on BICs, design fabricate unit cell with an open ring, breaking symmetry to excite Fano resonance by changing position gap. The surface current electromagnetic field distribution were further analyzed, internal physical mechanism was studied, significant...
Recently, the merging of accidental bound states in continuum (BICs) has attracted significant attention due to enhanced light–matter interactions. Here, we theoretically demonstrate BICs perturbed all-silicon terahertz photonic crystal (PhC) slabs with C2 and broken-symmetry structures. The PhC consist an array four cylindrical holes support a TM symmetry protected (SP) vector BIC at Γ point. Our results indicate that band transition can be achieved by varying diameter diagonal C2-symmetry...
An efficient, catalyst-free strategy to construct diarylmethyl sulfones via 1,6-conjugate addition/aromatization/sulfonylation reaction of para-quinone methides with sulfonyl hydrazides under mild and environmentally benign conditions has been developed. The established protocol provided a highly chemo- regioselectivity synthesis diverse array novel excellent yields, the could be scaled up.
(Ba1-xSrx)SnO3 (x=0–1) (BSSO) films were epitaxially grown on MgO substrates by pulsed laser deposition. X-ray diffraction, atomic force microcopy, and optical transmittance investigations reveal that the lattice band structure properties of BSSO can be modified significantly changing Sr content. With increasing content from 0 to 1 in films, parameters decrease 4.123 4.037 A gradually, while gaps energy increases 3.50 4.27 eV linearly, which was attributed octahedral tilting distortion...