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	Reversible Angle Distortion-Dependent Electrochemical CO₂ Reduction on Cobalt Phthalocyanine 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025, 卷号: 147, 期号: 7, 页码: 5819-5827 作者: Mei, Bingbao; Mao, Jianing; Liang, Zhaofeng; Sun, Fanfei; Yang, Shuai Adobe PDF(5831Kb) \| 收藏 \| 浏览/下载：56/5 \| 提交时间：2025/02/24 Atomic emission spectroscopy Bioremediation Bond length Cobalt Crystal atomic structure Electron density measurement Molecular orbitals Photoionization Reaction intermediates X ray absorption near edge structure spectroscopy Active catalyst Active site Carbon dioxide reduction CO 2 reduction Cobalt phthalocyanine Electrochemicals High-energy resolution Intrinsic mechanisms Long duration Operando
	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
	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：226/4 \| 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
	Wide bandgap copolymers with asymmetric side chains for efficient organic solar cells 期刊论文 JOURNAL OF MATERIALS CHEMISTRY C, 2024, 卷号: 12, 期号: 23 作者: Tao, Zicheng; Li, Yi; Shen, Wenxiong; Fu, Huiting; Ma, Yunlong Adobe PDF(1466Kb) \| 收藏 \| 浏览/下载：186/1 \| 提交时间：2024/06/17 Carrier mobility Energy gap Molecular orbitals Asymmetric side chain Asymmetric structures Benzodithiophene Donor materials Donor/acceptor Fill-factor Intermolecular interactions Photovoltaic performance Symmetric structures Wide-band-gap
	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：282/0 \| 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
	High Performance Pseudo-Pt@Pt Core-Shell Electrocatalyst for Oxygen Reduction Reaction: A Density Functional Theory Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2024, 卷号: 128, 期号: 37 作者: Zhang, Yan-Ping; Wei, He-He; Wang, Zhi-Qiang; Hu, P.; Gong, Xue-Qing 收藏 \| 浏览/下载：245/0 \| 提交时间：2024/09/20 Cobalt alloys Copper alloys Electrolysis Electrolytic reduction Lead alloys Nickel alloys Oxygen reduction reaction Platinum Core shell D orbitals Electrocatalyst for oxygen reduction reactions High oxygens Interfacial charge transfer Orbitals Oxygen reduction reaction Performance Pt(111) Reaction activity
	Synergistic role of hydrogen bonding and band degeneracy leads to enhanced X-ray detection in HPIP-(NH4)0.7Cs0.3Br3·H2O perovskites 期刊论文 INORGANIC CHEMISTRY FRONTIERS, 2024, 卷号: 11, 期号: 9, 页码: 2709-2717 作者: Dong, Pengxiang; Lin, Chensheng; Zhao, Xin; Lv, Yicong; Ye, Ning Adobe PDF(1958Kb) \| 收藏 \| 浏览/下载：171/0 \| 提交时间：2024/04/26 Activation energy Graphene Hydrogen bonds Ions Molecular orbitals Single crystals X ray absorption X ray detectors Absorption coefficients Eco-friendly Ion migration Lowest unoccupied molecular orbital Metal free Non-toxic Non-wearables X-ray absorptions X-ray detections X-ray detector
	Pressure-Induced Superconductivity in the Charge-Density-Wave Compound LaTe_2-xSb_x (x=0 and 0.4) 期刊论文 CHINESE PHYSICS LETTERS, 2023, 卷号: 40, 期号: 10 作者: Adobe PDF(8253Kb) \| 收藏 \| 浏览/下载：242/0 \| 提交时间：2023/11/08 Cerium compounds Charge density Charge density waves Charge transfer Orbits Tellurium compounds 4f-electrons Charge-density-waves External pressures In-situ synchrotrons Magnetic fluctuation Nonmagnetics Orbitals Pairing mechanism Pressure induced superconductivity Structural phase transition
	Enhancing the photocatalytic efficiency of two-dimensional aluminum nitride materials through strategic rare earth doping 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 37, 页码: 25442-25449 作者: Yan, Weiyin; Yan, Yayu; Wang, Zirui; Li, Qiao-Hong; Zhang, Jian Adobe PDF(1729Kb) \| 收藏 \| 浏览/下载：244/0 \| 提交时间：2023/10/16 Dysprosium compounds Efficiency III-V semiconductors Light absorption Molecular orbitals Nitrides Orbits Photocatalytic activity Rare earths Semiconductor doping Wide band gap semiconductors Carrier recombination Co-doping Doping techniques Higher efficiency Oxidation capacity Photocatalytic efficiency Rare-earths doping Recombination rate Two-dimensional Visible light
	Observation of First-Order Quantum Phase Transitions and Ferromagnetism in Twisted Double Bilayer Graphene 期刊论文 PHYSICAL REVIEW X, 2023, 卷号: 13, 期号: 3 作者: Liu, Le; Lu, Xin; Chu, Yanbang; Yang, Guang; Yuan, Yalong Adobe PDF(1766Kb) \| 收藏 \| 浏览/下载：369/62 \| 提交时间：2024/01/19 Coulomb interactions Ferromagnetic materials Filling Graphene Hysteresis Magnetic fields Phase diagrams Phase transitions Quantum theory Solvents Bilayer Graphene First-order Quantum phase transition Flat band Graphene multilayers Half-filling Multi-field Orbitals Polarized phasis Quantum-phase transition Tunables

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