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	Prediction of the Dual Quantum Spin Hall Insulator in the NbIrTe₄ Monolayer 期刊论文 CHINESE PHYSICS LETTERS, 2025, 卷号: 42, 期号: 3 作者: Liu, Xiangyang; Lai, Junwen; Zhan, Jie; Yu, Tianye; Shi, Wujun Adobe PDF(2124Kb) \| 收藏 \| 浏览/下载：17/1 \| 提交时间：2025/04/14 Monolayers Nanocrystals Niobium compounds Spin density waves Spin Hall effect Tellurium compounds Topological insulators Band inversion Charge neutrality First principle calculations Neutrality point Quantum spin halls Recent progress Spin hall insulator Topological state Two-dimensional materials Van Hove singularities
	Novel superhard orthorhombic O12 carbon: a first principle study 期刊论文 PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 12 作者: Wang, Hao; Du, Mingrun; Wan, Linxuan; Zhang, Ying; Wang, Changying Adobe PDF(1297Kb) \| 收藏 \| 浏览/下载：312/5 \| 提交时间：2024/11/19 first-pinciples calculations mechanical properties electric properties orthorhombic O12 carbon
	Classification of coal gangue and identification of coal type based on first-derivative of mid-infrared spectrum 期刊论文 INFRARED PHYSICS & TECHNOLOGY, 2024, 卷号: 142 作者: Li, Zekun; Xie, Leiying; Ji, Ruonan; Chen, Yuanping; Wang, Shaowei Adobe PDF(2765Kb) \| 收藏 \| 浏览/下载：185/1 \| 提交时间：2024/09/30 Mid-infrared spectroscopy Coal and gangue classification Coal sorting/coal type identification First derivative spectrum
	p-Type AgAuSe Quantum Dots 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 46, 页码: 31799-31806 作者: Tang, Zhiyong; Wang, Zhixuan; Yang, Hongchao; Ma, Zhiwei Adobe PDF(7159Kb) \| 收藏 \| 浏览/下载：162/2 \| 提交时间：2024/11/28 Aluminum arsenide Atomic emission spectroscopy Gallium compounds Heterojunctions Mercury amalgams Nanocrystals Semiconducting indium phosphide Semiconductor doping Ultraviolet photoelectron spectroscopy X ray photoelectron spectroscopy Device application Doping strategies First principle calculations Level shift Metal free Optoelectronics devices P-type P/n homojunctions Toxic heavy metals X-ray photoelectrons
	Random nonequilibrium Green's function method for large-scale quantum transport simulation 期刊论文 PHYSICAL REVIEW B, 2024, 卷号: 110, 期号: 15 作者: Zhang, Qingyun; Tang, Mingfa; Wang, Lei; Xia, Ke; Ke, Youqi Adobe PDF(7040Kb) \| 收藏 \| 浏览/下载：304/4 \| 提交时间：2024/11/08 Green's function Hamiltonians Higher order statistics Probability density function Quantum computers Quantum confinement Quantum entanglement Quantum optics Random processes Resonant tunneling Solitons Statistics Stochastic systems Density-functional-theory Eigen modes Electron transmission First principles Large-scales Non-equilibrium Green functions method Orbitals Quantum transport properties Quantum transport simulations Superposition state
	Unveiling the charge density wave mechanism in vanadium-based Bi-layered kagome metals 期刊论文 NPG ASIA MATERIALS, 2024, 卷号: 16, 期号: 1 作者: Yang, Yi-Chen; Cho, Soohyun; Li, Tong-Rui Adobe PDF(1359Kb) \| 收藏 \| 浏览/下载：408/8 \| 提交时间：2024/06/03 Atomic emission spectroscopy Bismuth alloys Charge density waves Electron spin resonance spectroscopy Negative ions Photoacoustic spectroscopy Positive ions Ultraviolet photoelectron spectroscopy Vanadium Vanadium alloys Vanadium compounds Angle resolved photoemission spectroscopy Charge-density-waves Charge-ordering First principle calculations Focusing angle Foldings Hybridization energy Isostructural Joint density of state Microfocusing
	Magnetization dependent anisotropic topological properties in EuCuP 期刊论文 PHYSICAL REVIEW MATERIALS, 2024, 卷号: 8, 期号: 9 作者: Yuan, Jian; Shi, Xianbiao; Du, Hong; Xia, Wei; Wang, Xia Adobe PDF(2245Kb) \| 收藏 \| 浏览/下载：334/2 \| 提交时间：2024/10/08 Anisotropy Magnetization Spin dynamics Spin Hall effect Spin orbit coupling Spin waves Topology First principle calculations Magneto-transport measurement Out-of-plane Paramagnetic structure Polarization structures Scaling analysis Spin-polarization Topological bands Topological properties Topological state
	First-principles-based microkinetic modeling of methanol steam reforming over Cu(111) and Cu(211): structure sensitive activity and selectivity 期刊论文 DALTON TRANSACTIONS, 2024, 卷号: 53, 期号: 42, 页码: 17190-17199 作者: Zhang, Xinyi; Yang, Bo Adobe PDF(2058Kb) \| 收藏 \| 浏览/下载：241/6 \| 提交时间：2024/10/14 Dehydrogenation Carbon emissions Cu(1 1 1) Density-functional theory calculations Energy emissions First principles Hydrogen Energy Methanol-steam reforming Microkinetic modeling Reaction mechanism Structure-sensitive
	Hidden Charge Order and Multiple Electronic Instabilities in EuTe₄ 期刊论文 NANO LETTERS, 2024, 卷号: 24, 期号: 25, 页码: 7681-7687 作者: Xiao, Kebin; Dong, Wen-Han; Wang, Xintong; Yu, Jiawei; Fu, Daran Adobe PDF(6133Kb) \| 收藏 \| 浏览/下载：140/1 \| 提交时间：2024/07/02 charge order electronic instability scanningtunneling microscopy first-principles calculation
	Superconducting ternary hydrides in Ca-U-H under high pressure 期刊论文 JOURNAL OF PHYSICS CONDENSED MATTER, 2024, 卷号: 36, 期号: 16 作者: Wu, Juefei; Zhu, Bangshuai; Ding, Chi; Pei, Cuiying; Wang, Qi Adobe PDF(1773Kb) \| 收藏 \| 浏览/下载：332/1 \| 提交时间：2024/02/23 Actinides Calcium compounds Crystal structure Electron-phonon interactions Electronic density of states Electrons Hydrides Crystals structures Electronic.structure First principle calculations High pressure Low pressures Structure prediction Structure property Superconducting properties Ternary compounds Ternary hydrides

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