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李伟奇,哈尔滨工业大学物理学院, 教授,博士生导师。主要从事多尺度模拟方法发展、非线性光学材料设计、纳米材料量子器件输运性质、先进半导体器件\光电器件设计和可靠性评价等方面的研究工作,已累计在ACS Photonics, ACS Applied Materials & Interfaces,Nanoscale, Carbon, J.Mater.Chem C, ,J. Phys.Chem. Lett,Phys. Rev. B, J. Phys.Chem. C, Phys.Chem.Chem.Phys. App.Phys.Lett., Scientific Reports等国际学术期刊发表论文130余篇,担任国际期刊Crystal客座编辑和ACS Applied Materials & Interfaces, Phys. Chem. Chem. Phys., J.Phys.Chem. C, Chem.Phys.Lett.等国际SCI期刊论文评审。授权国家发明专利6项。获批软件著作权17项。先后主持国家自然科学基金项目3项。 工作经历 2021,01- 至今 哈尔滨工业大学 物理学院 教授 2014.01-2020.12 哈尔滨工业大学 物理学院 副教授 2015.09-2016.06 Guelph university 博士后 2007.09-2013.12 哈尔滨工业大学 理学院物理系 讲师 教育经历 1996.09-2000.07 东北师范大学 学士(导师:苏中民教授) 2002.09-2007.07 吉林大学 硕博连读(导师:封继康教授)

研究领域

纳米材料与纳米器件,材料的第一性原理计算

近期论文

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Analysis of radiation defects in gallium nitride using deep level transient spectra and first principles methods Search a maximum of the D-π-A paradigm for second order nonlinear optical molecular materials A machine-learning interatomic potential to understand the anisotropic fracture behavior of BaZrO3 material Defect Engineering of MoS 2 Nanosheets by Heavy-Ion Irradiation for Hydrogen Evolution Identification of intrinsic defects and hydrogen passivation in InP using hybrid functional Threshold displacement energy of amorphous SiO 2 : A molecular dynamics study Strain-dependent Magnetic Ordering Switching in 2D AFM Ternary V-based Chalcogenides Monolayers Unraveling optical degradation mechanism of β -Ga2O3 by Si4+ irradiation: A combined experimental and first-principles study Surface Defects of Electron Irradiation Engineering for Graphene/Polymer Composite-Based Flexible Humidity Sensors Simulation of space-heavy ions induced PKA in Bipolar device Response Mechanisms of Additional Displacement Defects in Oxides to Ionization Damage in Bipolar Transistors Unveiling the Linear Photogalvanic Effect in a Two-Dimensional Organic Tin Halide Perovskite: (CH 3 ) 2 NH 2 SnI 3 Bending Effect on the Electronic Properties and Nonlinear Optical Responses of Linear Porphyrin Oligomer The Influence of Deep-Level Defects With Various Depths in SiO 2 on Ionizing Damage Library of Intrinsic Defects in β-Ga2O3: First-Principles Studies Ab initio investigation of charge density wave and superconductivity in two-dimensional Janus 2H/1T -MoSH monolayers Ferroelectricity and High Curie Temperature in a 2D Janus Magnet Location identify of EC-0.9 eV trap in AlGaN/GaN high electron mobility transistors A machine-learning interatomic potential to understand primary radiation damage of silicon Electronic Structures and NLO Properties of a Series of TMDs Lateral‐Core–Shell Heterostructures Quantum Dots BN-Doped Carbon Nanotubes and Nanoribbons as Nonlinear-Optical Functional Materials for Application in Second-Order Nonlinear Optics Effects of 60Co γ-ray irradiation of thin-layers molybdenum disulfide for hydrogen evolution reaction High sensitivity microcrack hydroxylated MWCNT/Ecoflex composite flexible strain sensors based on proton irradiation engineering Bayesian Network Modeling of Transistor-level Total Ionizing Dose Effects Impact on Circuit Electrical Response in Space Environment To define nonradiative defects in semiconductors: An accurate DLTS simulation based on first-principle The Effects of Displacement Damage on Ionization Effect in SiO 2 Layer of Bipolar Transistor Reliability Evaluation of Superluminescent Diodes in Space Environment Based on Bayesian Networks Prediction of the electronic structure of single-walled GeS nanotubes The effect of ionization damage on displacement damage in AlGaN/GaN HEMTs Butterfly‐Shaped Nanographenes with Excellent Second‐Order Nonlinear Optical Properties: The Synergy of B/N and Azulene Integrating Ferromagnetism and Ferroelectricity in an Iron Chalcogenide Monolayer: A First-Principle Study Novel insights into lattice thermal transport in nanocrystalline Mg3Sb2 from first principles: The crucial role of higher-order phonon scattering Investigation of proton irradiation induced E C -0.9 eV traps in AlGaN/GaN high electron mobility transistors Spin engineering of triangulenes and application for nano nonlinear optical materials design Enhanced $d$-wave pairing in the two-dimensional Hubbard model with periodically modulated hopping amplitudes Perfect dual spin filtering effect and large magnetoresistance in all-carbon devices based on C18 cyclo molecule from first principles First principles calculations of charge shift photocurrent in vdWs slide double layered 2D h-BN and β-GeS homostructures Effect of hopping anisotropy on the d-wave pairing in the Hubbard model: From two-leg ladder to square lattice Strong second order nonlinear optical properties of azulene-based porphyrin derivatives First principles study of photogalvanic effect of monolayer SnS Colossal In-Plane and Out-of-Plane Shift Photocurrents in Single-Layer Two-Dimensional α-Antimonide Phosphorus The Study of Displacement Damage in AlGaN/GaN High Electron Mobility Transistors Based on Experiment and Simulation Method Wearable hydroxylated MWCNTs/ecoflex composite strain sensor with high comprehensive performance based on electron irradiation The effects of the fluence of electron irradiation on the structure and hydrogen evolution reaction performance of molybdenum disulfide NiX 2 (X = S, Se, and Te) Monolayers: Promising Anodes in Li/Na-Ion Batteries and Superconductors High performance nonlinear optical materials with simple aromatic hydrocarbons Pairing in the Hubbard model on the honeycomb lattice with hopping up to the third-nearest-neighbor On the anomalous diffusion of proton in Y-doped BaZrO3 perovskite oxide Electron Irradiation Induces the Conversion from 2H-WSe 2 to 1T-WSe 2 and Promotes the Performance of Electrocatalytic Hydrogen Evolution Giant Shift Photovoltaic Current in Group V‐V Binary Nanosheets Strain‐induced tunable energy barrier of proton diffusion in Y‐doped BaCeO 3 and Y‐doped BaZrO 3 First-Principles Calculations for the Impact of Hydrogenation on the Electron Behavior and Stability of Borophene Nanosheets: Implications for Boron 2D Electronics Theoretical studies on the two-photon absorption of II–VI semiconductor nano clusters Radiation effects on PNP bipolar junction transistors caused by 50MeV protons High Performance Nonlinear Optical Materials with Simple Aromatic Hydrocarbons First Principles Calculations of Charge Shift Photocurrent in Vdws Slide Double Layered 2d H-Bn and Β-Ges Homostructures Unveiling 2D Ferroelectricity and Ferromagnetism Interaction in van der Waals Heterobilayers The Potential of Phosphorus Nitride Monolayer for Li–S Battery from the Anchoring and Diffusing Perspective: A First‐Principles Study Spontaneous n-Doping in Growing Monolayer MoS 2 by Alkali Metal Compound-Promoted CVD Tuning azulene defects and doping of N atoms in graphene nanosheets: Improving nonlinear optical properties of carbon-based nano materials Electric field induced injection and shift currents in zigzag graphene nanoribbons ElasTool: An automated toolkit for elastic constants calculation Giant Out-of-Plane Second Harmonic Generation Susceptibility in Janus Group III Chalcogenide Monolayers Effects of Ionization and Displacement Damage in AlGaN/GaN HEMTs Devices Caused by Various Heavy Ions Theoretical Studies on the Electronic Structure of Nano-graphenes for Applications in Nonlinear Optics Tuning the edge states in X-type carbon based molecules for applications in nonlinear optics Electronic Properties of Triangle Molybdenum Disulfide (MoS2) Clusters with Different Sizes and Edges Graphene-based monoatomic chain spintronics: contact-derived half-metallicity, sp2 vs sp Electronic structure and optical properties of InSe/α-AsP van der Waals heterostructure from DFT calculations The pairing symmetries in the two-dimensional Hubbard model Large and anisotropic second harmonic generation of V-V binary phosphorene derivative with permanent dipole Quantum Monte Carlo study of the Hubbard model with next-nearest-neighbor hopping $t'$: pairing and magnetism PN/PAs-WSe2 van der Waals heterostructures for solar cell and photodetector Modulation of electronic band structure of silicene by polar two-dimensional substrates Highly sensitive gas sensing material for polar gas molecule based on Janus group-III chalcogenide monolayers: A first-principles investigation Enhanced Shift Currents in Monolayer 2D GeS and SnS by Strain-Induced Band Gap Engineering Long Radiation Lifetime and Quasi-Isotropic Excitons in Antioxidant V-V Binary Phosphorene Allotropes with Intrinsic Dipole

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