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物质科学与技术学院 [21]

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	Weyl Fermion Manipulation Through Magnetic Transitions in the Ferromagnetic Non-Centrosymmetric Weyl Semimetal PrAlSi 期刊论文 ADVANCED ELECTRONIC MATERIALS, 2025 作者: Wang, Kaipu; Shi, Wujun; Cao, Weizheng; Yang, Xiaotian; Lv, Zhengyang Adobe PDF(2400Kb) \| 收藏 \| 浏览/下载：31/1 \| 提交时间：2025/05/12 ab-initio calculations angle-resolved photoemission spectroscopy electronic structure magnetic transition topological weyl semimetal
	Li-promoted C3N4 catalyst for efficient isomerization of glucose into fructose at 50 °C in water 期刊论文 GREEN ENERGY AND ENVIRONMENT, 2024, 卷号: 9, 期号: 9, 页码: 1419-1426 作者: Liu, Wang; Zhang, Yanfei; Sun, Mengya; Zhao, Xinpeng; Li, Shenggang Adobe PDF(1829Kb) \| 收藏 \| 浏览/下载：316/0 \| 提交时间：2023/06/02 Catalysis Catalyst activity Catalyst selectivity Density functional theory Electronic structure Fructose Isomerization Isomers Condition Density-functional theory calculations Enzymatic catalysis Heterogeneous catalyst High selectivity Higher yield Isomerisation Lewis Acid Li–C3N4 ]+ catalyst
	Electronic Correlation and Pseudogap-Like Behavior of High-Temperature Superconductor La3Ni2O7 期刊论文 CHINESE PHYSICS LETTERS, 2024, 卷号: 41, 期号: 8 作者: Li, Yidian; Du, Xian; Cao, Yantao; Pei, Cuiying; Zhang, Mingxin Adobe PDF(4086Kb) \| 收藏 \| 浏览/下载：387/3 \| 提交时间：2024/08/23 Electronic structure High pressure effects High temperature superconductors Lanthanum compounds Liquefied gases Photoelectron spectroscopy Ab initio calculations Condensed-matter physics Electronic correlation Electronic.structure High pressure High-resolution angle-resolved photoemission spectroscopies High-temperature superconductivity High-temperature superconductor Liquid nitrogen temperature Pseudo-gap
	Surface properties of non-passivated nickel-based alloys in H2O-bearing environments by theoretical calculations: Atomic modification effects from alloying additions 期刊论文 JOURNAL OF APPLIED PHYSICS, 2024, 卷号: 135, 期号: 20 作者: Yin, Ya-Ru; Wang, Han; Yang, Yu-Qi; Hai, Xue; Li, Zhen-Hui Adobe PDF(1869Kb) \| 收藏 \| 浏览/下载：380/9 \| 提交时间：2024/06/07 Alloying Atoms Corrosive effects Electrochemical electrodes Electronic structure Molecules Nickel alloys Oxygen Passivation Surface properties Surface segregation Alloying additions Alloying compositions Electrode potentials Modification effect Ni atoms Ni(111) Nickel based alloy Potential shift Surface layers Theoretical calculations
	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：359/1 \| 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
	Random Green's Function Method for Large-Scale Electronic Structure Calculation 期刊论文 CHINESE PHYSICS LETTERS, 2024, 卷号: 41, 期号: 5 作者: Tang, Mingfa; Liu, Chang; Zhang, Aixia; Zhang, Qingyun; Zhai, Jiayu Adobe PDF(746Kb) \| 收藏 \| 浏览/下载：318/4 \| 提交时间：2024/06/11 Stochastic systems Dirac operators Electronic structure calculations Fermi-Dirac Function methods Krylov subspace Large-scales Linear-scaling Polynomials expansion Random state S function
	Theory for Charge Density Wave and Orbital-Flux State in Antiferromagnetic Kagome Metal FeGe 期刊论文 CHINESE PHYSICS LETTERS, 2024, 卷号: 41, 期号: 4 作者: Ma, Hai-Yang; Yin, Jia-Xin; Zahid Hasan, M.; Liu, Jianpeng Adobe PDF(3090Kb) \| 收藏 \| 浏览/下载：299/0 \| 提交时间：2024/04/26 Antiferromagnetism Charge density Density functional theory Electron-phonon interactions Electronic structure Ground state Lattice theory Topology Antiferromagnetics Charge-density-waves Charge-ordering Density-functional theory calculations Electronic.structure First-principle density-functional theories Fluctuation properties Orbitals Quantum fluctuation Spin-orbit couplings
	Tuning the Flat Band in Bi2O2Se by Pressure to Induce Superconductivity 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 11, 页码: 7324-7331 作者: Tian, Hui; Tu, Teng; Jin, Xilian; Li, Chenyi; Lin, Tao Adobe PDF(4205Kb) \| 收藏 \| 浏览/下载：272/0 \| 提交时间：2024/04/12 Electron-phonon interactions Electronic structure Fermi level Graphene Selenium compounds Tuning Bilayer Graphene Electronic.structure Fermi surface nesting Flat band Pressure induced superconductivity Pressure tuning Superconducting state Theoretical calculations Twisted bilayers Van Hove singularities
	Kagome surface states and weak electronic correlation in vanadium-kagome metals 期刊论文 JOURNAL OF PHYSICS CONDENSED MATTER, 2023, 卷号: 35, 期号: 40 作者: Ding, Jianyang; Zhao, Ningning; Tao, Zicheng; Huang, Zhe; Jiang, Zhicheng Adobe PDF(6453Kb) \| 收藏 \| 浏览/下载：1055/293 \| 提交时间：2023/07/28 Photoelectron spectroscopy Surface states Vanadium Angle resolved photoemission spectroscopy ARPES Electronic correlation Electronic.structure First principle calculations Kagome surface state Micron scale RV6sn6 Spatially resolved Two-dimensional
	Propane dehydrogenation by atomically thin platinum layer on pristine two-dimensional MXenes 期刊论文 JOURNAL OF CATALYSIS, 2023, 卷号: 425, 页码: 333-344 作者: Chu, Changqing; Chen, Baoyu; Li, Shenggang; Sun, Yuhan; Liu, Ke Adobe PDF(3402Kb) \| 收藏 \| 浏览/下载：336/0 \| 提交时间：2023/07/21 Catalyst activity Dehydrogenation Electronic structure Lattice constants Platinum Catalyst descriptors DFT calculation First principle calculations Metal layer Microkinetic simulation Microkinetics Mxenes Propane dehydrogenation Pt atomically thin noble metal layer Two-dimensional

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