A5101868068- Chalcogenide Semiconductor Thin Films
- 2D Materials and Applications
- Quantum Dots Synthesis And Properties
- Advanced Thermoelectric Materials and Devices
- Perovskite Materials and Applications
- MXene and MAX Phase Materials
- Advanced Semiconductor Detectors and Materials
- Graphene research and applications
- Electronic and Structural Properties of Oxides
- Semiconductor materials and interfaces
- Boron and Carbon Nanomaterials Research
- Machine Learning in Materials Science
- Mitochondrial Function and Pathology
- ZnO doping and properties
- Cancer, Hypoxia, and Metabolism
- Parasitic Infections and Diagnostics
- Parasitic infections in humans and animals
- Inorganic Chemistry and Materials
- Copper-based nanomaterials and applications
- Toxoplasma gondii Research Studies
- ATP Synthase and ATPases Research
- Semiconductor materials and devices
- Phase-change materials and chalcogenides
- Functional Brain Connectivity Studies
- Advanced Photocatalysis Techniques
Fudan University
2012-2025
State Key Laboratory of Surface Physics
2012-2024
Shenzhen KangNing Hospital
2023-2024
Shenzhen University Health Science Center
2024
Southern University of Science and Technology
2023-2024
Physical Sciences (United States)
2024
Ningxia Medical University
2019-2023
Jinzhou Kangning Hospital
2023
Shenzhen University
2023
ShangHai JiAi Genetics & IVF Institute
2020-2023
Hybrid organic–inorganic halide perovskites with the prototype material of CH3NH3PbI3 have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite high power conversion efficiency exceeding 20% achieved by their solar cells, two key issues—the poor device stabilities associated intrinsic instability toxicity due to water-soluble Pb2+—need be resolved before large-scale commercialization. Here, we address these issues exploiting strategy...
We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm (PSO) algorithm. By performing PSO simulations, we new stable structures of 2D boron-carbon (B-C) compounds for wide range boron concentrations. Our calculations show that: (1) All B-C are metallic except BC(3) which is magic case where isolation carbon six-membered ring by atoms results in semi-conducting behavior. (2) For C-rich compounds, most can be viewed as doped graphene...
The emergence of cesium lead iodide (CsPbI3 ) perovskite solar cells (PSCs) has generated enormous interest in the photovoltaic research community. However, general they exhibit low power conversion efficiencies (PCEs) because existence defects. A new all-inorganic material, CsPbI3 :Br:InI3 , is prepared by defect engineering . This retains same bandgap as while intrinsic concentration largely suppressed. Moreover, it can be an extremely high humidity atmosphere and thus a glovebox not...
Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce gap, various approaches have been attempted; most of them are using doping modify structure. Using first-principles structure calculations, we show that unlike the rutile phases, in anatase phase can be effectively reduced by applying stress along a soft direction. We propose this approach tuning direction layered semiconductor is general and should applicable other anisotropic materials.
Two-dimensional (2D) semiconductors can be very useful for novel electronic and optoelectronic applications because of their good material properties. However, all current 2D materials have shortcomings that limit performance. As a result, new are highly desirable. Using atomic transmutation differential evolution global optimization methods, we identified two group IV–VI materials, Pma2-SiS silicene sulfide. is found to both chemically, energetically, thermally stable. Most importantly, has...
Transition metal dichalcogenides, such as MoS2 and VSe2 have emerged promising catalysts for the hydrogen evolution reaction (HER). Substantial work has been devoted to optimizing catalytic performance by constructing materials with specific phases morphologies. However, optimization of adsorption/desorption process in HER is rare. Herein, we concentrate on tuning dynamics adsorption applying a back gate voltage pristine nanosheet. The induces redistribution ions at electrolyte-VSe2...
ASnO3 (A = Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles structure calculations, we show the small effective masses, thus, good of can be attributed to large size Sn this system gives conduction edge with antibonding and Os characters. Moreover, easily doped by La shallow LaA(+/0) donor level. Our results, therefore, explain why BaSnO3, SrSnO3, alloys promising candidates for transparent...
Metal-semiconductor contact has been a critical topic in the semiconductor industry because it influences device performance remarkably. Conventional metals have served as major material electronic and optoelectronic devices, but such selection becomes increasingly inadequate for emerging novel materials two-dimensional (2D) materials. Deposited on semiconducting 2D channels usually form large resistance contacts due to high Schottky barrier. A few approaches reported reduce they are not...
Single photon emission (SPE) by a solid-state source requires presence of distinct two-level quantum system, usually provided point defects. Here we note that number qualities offered novel, two-dimensional materials, their all-surface openness and optical transparence, tighter confinement, reduced charge screening—are advantageous for achieving an ideal SPE. On the basis first-principles calculations point-group symmetry analysis, strategy is proposed to design paramagnetic defect complex...
Long-term instability and possible lead contamination are the two main issues limiting widespread application of organic-inorganic halide perovskites. Here a facile efficient solution-phase method is demonstrated to synthesize lead-free Cs2 SnX6 (X = Br, I) with well-defined crystal structure, long-term stability, high yield. Based on systematic experimental data first-principle simulation results, displays excellent stability against moisture, light, temperature, which can be ascribed...
Abstract While density functional theory (DFT) serves as a prevalent computational approach in electronic structure calculations, its demands and scalability limitations persist. Recently, leveraging neural networks to parameterize the Kohn–Sham DFT Hamiltonian has emerged promising avenue for accelerating computations. Despite advancements, challenges such necessity computing extensive training data explore each new system complexity of establishing accurate machine learning models...
The integration of machine learning with high-throughput computation accelerates the precise prediction novel battery materials.
The solubility of Yb in ${\text{Yb}}_{x}{\text{Co}}_{4}{\text{Sb}}_{12}$ was reported to be 0.19 bulk skutterudites made by melting and slow cooling method. Surprisingly we increased $x$ close 0.5 a special sample preparation method: ball mill hot press. We show that higher concentration not only increases the power factor due electron but also reduces thermal conductivity $k$ because stronger phonon scattering. In this way, have achieved dimensionless thermoelectric figure merit ZT about...
As alternatives to the mixed-anion Cu${}_{2}$ZnSn(S,Se)${}_{4}$ alloys, mixed-cation Cu${}_{2}$Zn(Sn,Ge)Se${}_{4}$ and Cu${}_{2}$Zn(Sn,Si)Se${}_{4}$ alloys can also span a band gap range that fits requirement of solar cell light absorber. However, material properties these as functions alloy composition $x$ are not well known. In this paper, using first-principles calculations, we study structural electronic alloys. We find (i) highly miscible with low formation enthalpies, while less...
The Fermi level of a material is fundamental quantity that determines its electronic properties. Thus, the ability to tune levels important for developing device materials. However, most materials, limited certain range in band gap due existence intrinsic compensating defects. Here we demonstrate quenching can be used as an effective way overcome this limit, allowing tuned much wider range. Taking photovoltaic CdTe prototype example, analyzed physical origin pinning and explained why growing...
The stability of organic–inorganic halide perovskites is a major challenge for their applications and has been extensively studied.
One of the main limiting factors in CdTe solar cells is its low p-type dopability and, consequently, open-circuit voltage (VOC). We have systematically studied P and As doping with first-principles calculations order to understand how increase hole density. find that both are self-compensated by formation AX centers. More importantly, we although high-temperature growth beneficial obtain high density, rapid cooling necessary sustain density lower Fermi level close valence band maximum (VBM)...
Non-suicidal self-injury (NSSI) is commonly seen in adolescents with depression and a high-risk factor leading to suicide. The psychological mechanisms underlying NSSI are still unclear. purpose of this study was explore the differences personality traits, defensive styles, borderline symptoms among first-episode youth patients compared without healthy populations.The current recruited 188 participants, including 64 NSSI, 60 control subjects. Eysenck Personality Questionnaire, Defense Style...
Current thermoelectric (TE) materials often have low performance or contain less abundant and/or toxic elements, thus limiting their large-scale applications. Therefore, new TE with high efficiency and cost are strongly desirable. Here we demonstrate that SiS SiSe monolayers made from nontoxic earth-abundant elements intrinsically thermal conductivities arising low-frequency optical phonon branches large overlaps acoustic modes, which is similar to the state-of-the-art experimentally...