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	Hydrogenated metal oxide semiconductors for photoelectrochemical water splitting: Recent advances and future prospects 期刊论文 MATERIALS SCIENCE & ENGINEERING R-REPORTS, 2025, 卷号: 163 作者: Xiaodan Wang; Beibei Wang; Leonhard Mayrhofer; Xiangjian Meng; Hao Shen Adobe PDF(24257Kb) \| 收藏 \| 浏览/下载：255/6 \| 提交时间：2024/12/16 Hydrogenated metal oxide semiconductors Photoelectrochemical water splitting Hydrogenation techniques Surface and interface engineering strategies Advanced and in-situ characterization tech- niques Density functional theory
	Observation of multiple surface states in naturally cleavable chiral crystal PdSbSe 期刊论文 PHYSICAL REVIEW MATERIALS, 2025, 卷号: 9, 期号: 3 作者: Jiang, Zhicheng; Liu, Zhengtai; Hua, Chenqiang; Liu, Xiangqi; Yang, Yichen Adobe PDF(2632Kb) \| 收藏 \| 浏览/下载：2/1 \| 提交时间：2025/04/25 Atomic emission spectroscopy Chirality Crystal symmetry Fermi surface Photoacoustic spectroscopy Single crystal surfaces Chiral crystals Density-functional theory calculations Flatter surfaces High-resolution angle-resolved photoemission spectroscopies Multiple surfaces Nontrivial topology Physical phenomena Structure property Symmetry breakings Topological properties
	Emergence of quantum confinement in topological kagome superconductor CsV3Sb5 期刊论文 COMMUNICATIONS MATERIALS, 2024, 卷号: 5, 期号: 1 作者: Cai, Yongqing; Wang, Yuan; Hao, Zhanyang; Liu, Yixuan; Sui, Xuelei Adobe PDF(6714Kb) \| 收藏 \| 浏览/下载：563/97 \| 提交时间：2024/04/12 Band structure Density functional theory Electronic structure Photoelectron spectroscopy Quantum confinement Semiconductor quantum wells Superconducting materials Topology Angle resolved photoemission spectroscopy Continuous energy Density functional theory simulations Discrete energy levels Electronic.structure Motion of electrons Spectroscopy measurements Structures and properties Surface electronic structures Two-dimensional
	Disassembling one-dimensional chains in molybdenum oxides 期刊论文 CHINESE PHYSICS B, 2024, 卷号: 33, 期号: 12 作者: Du, Xian; Li, Yidian; Zhao, Wenxuan; Xu, Runzhe; Zhai, Kaiyi Adobe PDF(1552Kb) \| 收藏 \| 浏览/下载：161/2 \| 提交时间：2024/12/27 Charge density waves Density (optical) Density of liquids Layered semiconductors Light sensitive materials Quantum electronics Quantum optics Charge-density-waves Density-functional-theory Electronic.structure Emergent phenomenon Generalisation Luttinger-liquid behavior One dimension One-dimensional chains One-dimensional systems Property
	Large Band Splitting in g -Wave Altermagnet CrSb 期刊论文 PHYSICAL REVIEW LETTERS, 2024, 卷号: 133, 期号: 20 作者: Ding, Jianyang; Jiang, Zhicheng; Chen, Xiuhua Adobe PDF(7064Kb) \| 收藏 \| 浏览/下载：272/35 \| 提交时间：2024/12/13 Antiferromagnetic materials Ferromagnetic materials Ferromagnetism Liquid crystals Manganites Neel temperature Photoacoustic spectroscopy Photoelectron spectroscopy Seismic waves Semiconducting manganese compounds Single crystals Spintronics Band splitting Density-functional theory calculations Experimental verification High-resolution angle-resolved photoemission spectroscopies Large band Large spin Magnetic state Property Research focus Spin splittings
	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：300/4 \| 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
	Full-potential screened spherical wave based muffin-tin orbital method for density functional theory 期刊论文 PHYSICAL REVIEW B, 2024, 卷号: 110, 期号: 15 作者: Zhang, Aixia; Zhang, Qingyun; Zhang, Yu; Chen, Zhiyi; Wu, Yong Adobe PDF(669Kb) \| 收藏 \| 浏览/下载：223/4 \| 提交时间：2024/11/04 Electron density measurement Hamiltonians Lattice constants Lattice theory Negative ions Orbital calculations Positive ions Spheres Terbium alloys Accurate calculations Density-functional-theory Electron density functional theories Hamiltonian energy High-accuracy Orbital method Orbitals Spherical waves Tight binding Total energy
	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：239/6 \| 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
	Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations 期刊论文 JOURNAL OF CLEANER PRODUCTION, 2024, 卷号: 468 作者: Bi, Haodong; Zhao, Xu; Xu, Dandan; Liu, Jianli; He, Zhenglei Adobe PDF(7525Kb) \| 收藏 \| 浏览/下载：289/2 \| 提交时间：2024/07/19 Chemical oxygen demand Copper compounds Cyclic voltammetry Degradation Density functional theory Electron spin resonance spectroscopy Free radicals Health risks Metal ions Oxygen Paramagnetic resonance Physicochemical properties Wastewater treatment Coordination compounds Copper formazan Copper ion coordination compound Copper ions Copper phthalocyanine Copper recovery Copper-phthalocyanine Density-functional theory calculations Formazan Reactive oxygen species
	Dopant-mediated carrier tunneling in short-channel two-dimensional transistors 期刊论文 MATERIALS CHEMISTRY FRONTIERS, 2024, 卷号: 8, 期号: 20, 页码: 3300-3307 作者: Lu, Yue; Li, Chenyu; Yang, Shenbo; Yuan, Mingxuan; Qiao, Shuo Adobe PDF(3777Kb) \| 收藏 \| 浏览/下载：223/4 \| 提交时间：2024/08/26 Heterojunctions Layered semiconductors MOS devices Quantum electronics Short circuit currents Silicon wafers Surface discharges Transistors Carrier tunnelling Density-functional theory calculations Dopant atoms MoS 2 Node technology Quantum transport simulations Short channels Silicon-based electronics Two-dimensional Two-dimensional semiconductors

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