A5073575072- Perovskite Materials and Applications
- 2D Materials and Applications
- Chalcogenide Semiconductor Thin Films
- Ferroelectric and Piezoelectric Materials
- Advanced Photocatalysis Techniques
- Multiferroics and related materials
- Electronic and Structural Properties of Oxides
- Solid-state spectroscopy and crystallography
- MXene and MAX Phase Materials
- Magnetic and transport properties of perovskites and related materials
- Magnetic properties of thin films
- Quantum Dots Synthesis And Properties
- Physics of Superconductivity and Magnetism
- Catalytic Processes in Materials Science
- Magneto-Optical Properties and Applications
- Luminescence Properties of Advanced Materials
- Acoustic Wave Resonator Technologies
- Gas Sensing Nanomaterials and Sensors
- Advancements in Battery Materials
- Advanced Battery Materials and Technologies
- Semiconductor materials and devices
- Advanced Condensed Matter Physics
- Quantum and electron transport phenomena
- Graphene research and applications
- Supercapacitor Materials and Fabrication
Hunan University
2015-2024
State Council of the People's Republic of China
2016-2021
Southern University of Science and Technology
2021
Hunan University of Science and Technology
2021
Changsha University
2019-2021
Hunan Normal University
2016-2020
State Key Laboratory of Chemobiosensing and Chemometrics
2018
Hebei University of Technology
2015
Sun Yat-sen University
2006-2013
Changshu Institute of Technology
2013
The enhancement of electron-and-hole separation efficiency and facile generation reactive oxygen species are significant factors for performance improvement photocatalysts in selective toluene photocatalytic oxidation. Heterojunction defect construction have been regarded as valid methods to boost activity semiconductors. Herein, the CdIn2S4-CdS composite with compact heterojunctions defect-induced sulfur vacancies was fabricated by a one-step hydrothermal process. sheet-to-sheet abundant...
The optical properties of perovskite barium titanate in the core-level spectra are investigated by first principles under scissor approximation. There nine peaks at curve imaginary part dielectric function. assigned to interband contribution from O 2p valence bands Ti 3d conduction low-energy region and outer core electron excitation (core level excitation) near band semicore levels Ba 5p 2s high-energy region. In contrast calculated results tight-binding linear muffin-tin orbitals method,...
The sub-band gap absorption in the ferroelectric lead-free hybrid perovskite.
Ab initio simulations combined with the Berry phase method are employed to investigate ferroelectric polarization of tetragonal CsPbBr3 crystals by applying hydrostatic pressure varying from 0 19 GPa; we find that object research belongs P4mm space group. The calculated results show materials undergo a paraelectric-ferroelectric transition when increases critical value 15 GPa. is strongly enhanced and attains high about 23 μC cm-2, owing increase in ionic electric contributions under...
Interface Engineering is an effective route to tune structural and electrical properties in semiconductor heterostructures. Two kinds of typical van der Waals (vdW)-type contacts, i.e., the contacts Pb-I interface Cs-I with a black phosphorus (BP) monolayer, respectively, CsPbI3-BP heterostructures are studied by first-principles calculations. The electronic band structures both CsPbI3 slabs BP monolayer preserved combined vdW heterostructure contacting demonstrates type-I alignment, type-II...
The electronic properties of an MoS<sub>2</sub> and graphene heterostructure are investigated by density functional calculations.
In recent years, two-dimensional (2D) organic–inorganic perovskites have been attracting considerable attention because of their unique performance and enhanced stability for photovoltaic solar cells or photoluminescent devices.
We calculate the electronic properties and carrier mobility of perovskite CH3NH3SnI3 as a solar cell absorber by using hybrid functional method. The calculated result shows that electron hole mobilities have anisotropies with large magnitude 1.4 × 104 cm2·V−1·s−1 along y direction. In view huge difference between mobilities, can be considered p-type semiconductor. also discover relationship effective mass anisotropy occupation anisotropy. above results provide reliable guidance for its...
Recently, all-inorganic two-dimensional (2D) Ruddlesden-Popper (RP) halide perovskites have drawn much attention due to their excellent stability in ambient air. However, electronic and optical performance resulting from a wide bandgap low carrier mobility hindered use photodetectors. To overcome these limitations, this work, taking advantage of hexagonal indium selenide ($\mathrm{In}\mathrm{Se}$) with high electron mobility, we construct an atomically thin heterostructure....
Selective photooxidation of toluene to benzaldehyde using O2 as an oxidant has the advantages mild reaction conditions and excellent atomic economy, but it often suffers from low conversion efficiency. To promote process, we fabricated iron-doped Bi2WO6 microflowers by a simple hydrothermal method boost formation oxygen vacancies. The rich presence vacancies not only accelerates separation photogenerated charge carriers also enhances activation for ·O2– generation. Besides slight improvement...
Formamidinium lead triiodide (FAPbI3) is the prime candidate for single-junction perovskite solar cells, despite metastability of phase. To improve its ambient-phase stability and produce world-record photoelectric conversion efficiencies, methylenediammonium (MDA) has been used as an additive in FAPbI3. However, exact function role MDA are still uncertain. The doping may exist lattice either original structure or THTZ-H (tetrahydrotriazinium) structure. In this research, effects FAPbI3 on...
Based on the concept of green environmental protection, we hope to find a substitute for lead perovskites reduce pollution and achieve high photoelectric conversion efficiency. In this paper, structural, electronic optical properties γ-RbGeX3 (X = Cl, Br I) hybrid are investigated by density functional theory (DFT) calculations. The result shows that γ-RbGeI3 has direct band gap 1.38 eV exhibits strong absorption in visible light spectrum. However, electron effective mass z direction is...
The crystal structures, optical properties and carrier mobility for three phases of non-toxic perovskite halide CH<sub>3</sub>NH<sub>3</sub>SnCl<sub>3</sub> are calculated by applying density functional theory with the nonlocal van der Waals (vdW) correlation.
Despite great efforts devoted to the unusual optoelectronic properties for bulk inorganic halide perovskites, overcoming surface effects and bringing about selective growth in specified termination are still a challenge. In this paper, we investigate electronic structures, effective masses, carrier mobility, optical of γ-CsSnI3 with different terminations by employing density functional theory calculations. The calculated results show that range values hole mobility is from 370.50 584.39...
Heterogeneous stacking of two-dimensional (2D) perovskites with other 2D materials is a very effective strategy for designing low-cost and high-performance photovoltaic optoelectronic devices. The structural, electronic, optical properties distinctive all-2D M2XBr4-black phosphorus (BP) [M = (C4H9NH3)+; X Pb2+, Sn2+, Ge2+] van der Waals (vdW) heterostructures have been studied by first-principle calculations. M2SnBr4–BP M2GeBr4–BP show type-II band arrangement; however, the M2PbBr4–BP...