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Numerical study of the bilayer two-orbital model for La3Ni2O7 on a plaquette ladder
期刊论文
PHYSICAL REVIEW B, 2025, 卷号: 111, 期号: 18
作者:
Shen, Yang
;
Huang, Jiale
;
Qian, Xiangjian
;
Zhang, Guang-Ming
;
Qin, Mingpu
Adobe PDF(1449Kb)
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浏览/下载:12/4
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提交时间:2025/06/17
Bi-layer
Charge correlation
High-Tc superconductivity
Microscopic mechanisms
Orbitals
Pairing correlations
Spin correlations
Spin pairings
Two-dimensional
Two-orbital models
Multi-site orbital coupling in Ru-based high-entropy alloy-enabled hydroxyl spillover for enhanced peroxidase-like activity
期刊论文
CHEMICAL SCIENCE, 2025
作者:
Yang, Qi
;
Zhang, Jiawei
;
Tang, Yuxi
;
Ju, Yan
;
Gao, Xuejiao
Adobe PDF(1842Kb)
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浏览/下载:23/3
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提交时间:2025/06/04
Active site
Anti-tumors
Antibacterials
Disease diagnosis
Environmental applications
High entropy alloys
Multi-site
Non-trivial
Orbitals
Peroxidase-like activities
Reversible Angle Distortion-Dependent Electrochemical CO
2
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)
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浏览/下载:80/6
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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)
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浏览/下载:345/6
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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)
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浏览/下载:276/7
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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
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, 页码: 15476-15486
作者:
Zhang, Yan-Ping
;
Wei, He-He
;
Wang, Zhi-Qiang
;
Hu, P.
;
Gong, Xue-Qing
收藏
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浏览/下载:277/0
|
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
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, 页码: 8435-8441
作者:
Tao, Zicheng
;
Li, Yi
;
Shen, Wenxiong
;
Fu, Huiting
;
Ma, Yunlong
Adobe PDF(1466Kb)
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浏览/下载:209/1
|
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
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)
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浏览/下载:191/0
|
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
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)
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|
浏览/下载:300/0
|
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
Pressure-Induced Superconductivity in the Charge-Density-Wave Compound LaTe
2-x
Sb
x
(
x
=0 and 0.4)
期刊论文
CHINESE PHYSICS LETTERS, 2023, 卷号: 40, 期号: 10
作者:
Chen, Xu
;
Sun, Pei-han
;
Xie, Zhenkai
;
Meng, Fanqi
;
Pei, Cuiying
Adobe PDF(8253Kb)
|
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|
浏览/下载:271/0
|
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
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