A5028690312- solar cell performance optimization
- Advanced Data Storage Technologies
- Parallel Computing and Optimization Techniques
- Silicon and Solar Cell Technologies
- Semiconductor Quantum Structures and Devices
- Chalcogenide Semiconductor Thin Films
- Distributed and Parallel Computing Systems
- Advanced Memory and Neural Computing
- Numerical methods for differential equations
- Advanced Numerical Methods in Computational Mathematics
- Physical Unclonable Functions (PUFs) and Hardware Security
- Model Reduction and Neural Networks
- Electrocatalysts for Energy Conversion
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Electromagnetic Simulation and Numerical Methods
- Advanced Clustering Algorithms Research
- Quantum, superfluid, helium dynamics
- Semiconductor materials and devices
- Integrated Circuits and Semiconductor Failure Analysis
- 2D Materials and Applications
- Nanowire Synthesis and Applications
- Evaluation and Optimization Models
- Catalytic Processes in Materials Science
- GaN-based semiconductor devices and materials
Texas Tech University
2015-2025
Yunnan Normal University
2019-2025
Yunnan Provincial Department of Education
2024-2025
National University of Defense Technology
2023-2025
Sichuan University
2025
Shanghai Institute of Ceramics
2024-2025
Chinese Academy of Sciences
2024-2025
University of Chinese Academy of Sciences
2024-2025
Fudan University
2025
Jiangxi Agricultural University
2023-2024
Deep ultraviolet (DUV) photodetection usually relies on wide-bandgap semiconductors, which however face challenges in material growth and doping processes. In this work, we proposed validated a scheme based tunneling barrier modulation, achieving highly sensitive DUV photodetection. Using two-dimensional van der Waals heterostructure, the device integrates MoS2 as transporting layer for its high carrier mobility low dark current, few-layered graphene (FLG) photon absorption layer, hexagonal...
Abstract In classical and quasiclassical trajectory chemical dynamics simulations, the atomistic of collisions, reactions, energy transfer are studied by solving equations motion. These require potential its gradient for system under study, they may be obtained directly from an electronic structure theory. This article reviews such direct simulations. The accuracy is considered, with simulations highlighted F − + CH 3 OOH reaction in collisions CO 2 a perfluorinated self‐assembled monolayer...
Under general hypotheses on the target set S and dynamics of system, we show that minimal time function TS(\cdot) is a proximal solution to Hamilton--Jacobi equation. Uniqueness results are obtained with two different kinds boundary conditions. A new propagation result proven, as an application, give necessary sufficient conditions for be Lipschitz continuous near S. Petrov-type modulus condition also shown continuity
The self-propelled motion of droplets driven by a surface wetting gradient leads to electricity generation without any external energy input.
This paper shows how a compact finite difference Hessian approximation scheme can be proficiently implemented into semiclassical initial value representation molecular dynamics. Effects of the on monodromy matrix calculation are tested by propagating sampling distributions to determine power spectra for analytic potential energy surfaces and "on fly" carbon dioxide direct With computational cost is significantly reduced, making ab initio dynamics computationally more feasible and, at same...
Direct dynamics simulations are a very useful and general approach for studying the atomistic properties of complex chemical systems, since an electronic structure theory representation system's potential energy surface is possible without need fitting analytic function. In this paper, recently introduced compact finite difference (CFD) schemes approximating Hessian [J. Chem. Phys.2010, 133, 074101] tested by employing monodromy matrix equations motion. Several including carbon dioxide...
Layered molybdenum disulfide (MoS2) exhibits rich electronic and optical properties possesses vastly differing characteristic dimensions. A multi-layer MoS2 membrane represents the critical hierarchical structure which bridges length-scale of monolayer bulk material architectures. In this study, in-plane mechanical membranes were investigated by in situ SEM tensile testing. Under uniaxial loading, brittle fracture caused failure a highly localized region their showed thickness effect:...
We report a class of stabilized explicit-implicit domain decomposition (SEIDD) methods for the numerical solution parabolic equations. Explicit-implicit (EIDD) are globally noniterative, nonoverlapping methods, which, when compared with Schwarz-algorithm-based solvers, computationally and communicationally efficient each simulation time step but suffer from small size restrictions. By adding stabilization to EIDD, SEIDD retain time-stepwise efficiency in computation communication EIDD...
In previous research [J. Chem. Phys. 111, 3800 (1999)] a Hessian-based integration algorithm was derived for performing direct dynamics simulations. the work presented here, improvements to this are described. The has predictor step based on local second-order Taylor expansion of potential in Cartesian coordinates, within trust radius, and fifth-order correction predicted trajectory. current determines trajectory instead instantaneous normal mode coordinates used previously, ensure angular...
In this paper, we present a family of generally applicable schemes for updating the Hessian from electronic structure calculations based on an equation derived with compact finite difference (CFD). The CFD-based is higher accuracy than quasi-Newton which existing update are based. Direct tests schemes, as well dynamics simulations using integrator incorporating have shown four new produce reliably schemes.
Stacking faults, as defects of disordered crystallographic planes, are one the most important slipping mechanisms in commonly seen lattice, face-centered cubic (FCC). Such can initiate twinning which strengthens mechanical properties, e.g. twinning-induced plasticity (TWIP), high entropy alloys (HEAs) at cryogenic temperatures. In this work, by using density functional theory (DFT), initiated from stacking faults is discussed with regard to two different solute elements, Al and Mo, FeNiCoCr...
Text classification is considered as one of the primary task in many Natural Language Processing (NLP) applications. In industrial applications NLP, sentimental analysis a to understand how satisfied user after receiving service or buying product. The traditional approach convert text into format numeric vector before feeding machine learning algorithm. This representation word refers embedding. However embedding methods often model syntactic context words but ignore sentiment information...
To achieve coherent power combination of Ka-band high-power microwave (HPM), a phase-locked klystron-type coaxial relativistic Cherenkov generator (PKC-RCG), which combines the advantageous characteristics weak dimensional sensitivity RCG and low input ratio triaxial klystron amplifier (TKA), is proposed investigated in this paper. The PKC-RCG composed two parts: pre-modulation region adapted from TKA an energy exchange RCG. used for initial speed modulation intense electron beams (IREB),...
SnO2 is a significant wide bandgap semiconductor, and the defect characteristics of its (110) surface substantially affect performance electronic devices. In this study, first-principles calculations were employed to analyze impacts six intrinsic point defects 15 types complex pairs on material properties. The assessment was based charged formation energy, transition energy levels, effective mass, optical findings indicated that VO, Sni, SnO are deep-level donor defects, while VSn Oi...