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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)
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收藏
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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
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
;
Tao, Zicheng
;
Liu, Zhengtai
Adobe PDF(7064Kb)
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浏览/下载:272/35
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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
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:223/4
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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
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)
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浏览/下载:240/6
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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)
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浏览/下载:289/2
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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)
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浏览/下载:223/4
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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
Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions
期刊论文
CHEMICAL COMMUNICATIONS, 2024, 卷号: 60, 期号: 72, 页码: 9829-9832
作者:
Ling, Wenhui
;
Liu, Jian
;
Yang, Bo
Adobe PDF(855Kb)
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浏览/下载:283/5
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提交时间:2024/09/02
Alkalinity
Oxidation
Alkalines
Constant Potential
Density-functional theory calculations
Electrocatalytic
Grand canonical
Hydrogen oxidation reaction
Linear relationships
Microkinetic modeling
Potential conditions
Reaction under
Reactivity of surface oxygen vacancy sites and frustrated Lewis acid-base pairs of In
2
O
3
catalysts in CO
2
hydrogenation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 23, 页码: 16449-16453
作者:
Wei, Zhangqian
;
Li, Shenggang
;
Gao, Peng
Adobe PDF(1368Kb)
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收藏
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浏览/下载:241/0
|
提交时间:2024/06/11
Carbon dioxide
Catalyst activity
Density functional theory
Hydrogenation
Oxygen
Oxygen vacancies
Base pairs
CO formation
Density-functional theory calculations
Effect of oxygen
Formation energies
Hydrogenation activity
Lewis acid-base
Surface oxygen vacancies
Vacancy sites
]+ catalyst
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:280/0
|
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
Cu-OFF/ERI Zeolite: Intergrowth Structure Synergistically Boosting Selective Catalytic Reduction of NOx with NH3
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 11, 页码: 7605-7615
作者:
Han, Jinfeng
;
Li, Junyan
;
Zhao, Wenru
;
Li, Lin
;
Chen, Mengyang
Adobe PDF(7346Kb)
|
收藏
|
浏览/下载:241/1
|
提交时间:2024/04/12
Ammonia
Catalyst activity
Copper compounds
Density functional theory
Nitrogen oxides
Selective catalytic reduction
Temperature
Cu based zeolites
Density-functional theory calculations
Diesel exhausts
Intergrowth
Intergrowth structure
NO x
Offretite
Organic templates
Organotemplate-free
Selective catalytic reduction of NO
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