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物质科学与技术学院 [15]
作者
孙兆茹 [15]
濮伟雯 [7]
陆盛楠 [4]
吴楠 [4]
彭俊 [4]
武聪聪 [4]
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浏览/检索结果:
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Ab initio deep neural network simulations reveal that carbonic acid dissociation is dominated by minority cis-trans conformers
期刊论文
SCIENCE ADVANCES, 2025, 卷号: 11, 期号: 19
作者:
Yueqi, Zhao
;
Feifei, Tian
;
Zhaoru, Sun
Adobe PDF(653Kb)
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浏览/下载:60/14
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提交时间:2025/05/12
Hydrogen bonds
Ab initio
Acid dissociation
Carbonic acids
Cis-trans
Dissociation dynamics
Dynamics simulation
Neural network simulations
Proton donors
Protonating
Time-scales
Synergistic effects of confinement size and interface on anomalous ultrafast transport in nanofluidics
期刊论文
COMMUNICATIONS PHYSICS, 2025, 卷号: 8, 期号: 1
作者:
Pu, Weiwen
;
Sun, Zhaoru
Adobe PDF(2247Kb)
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浏览/下载:43/4
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提交时间:2025/05/06
Molecular dynamics
Nanoclay
Dynamics simulation
Graphenes
Machine
learning
Molecular origins
Nanoslits
Parallel transport
Surface interactions
Synergistic effect
Transport behavior
Ultra
fast
Atomic insights into the ion-conducting channels of poly(arylene piperidinium) anion exchange membranes
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 卷号: 27, 期号: 9, 页码: 4634-4642
作者:
Pu, Weiwen
;
Sun, Zhaoru
Adobe PDF(1819Kb)
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浏览/下载:84/2
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提交时间:2025/02/24
Conducting polymers
Electrolytic reduction
Ion exchange membranes
Nafion membranes
Water content
Anion exchange
Conducting channels
Energy devices
Enhanced conductivity
Exchange membranes
Green energy
Ion-conducting
Piperidinium
Poly(arylene)
Polyarylenes
Cooperative Role of Conformation and Ice-Binding Groups in Ice Growth Inhibition of Antifreeze Glycoproteins
期刊论文
LANGMUIR, 2024, 卷号: 41, 期号: 1, 页码: 663-670
作者:
Liao, Yucong
;
Yang, Wentao
;
Sun, Zhaoru
Adobe PDF(3188Kb)
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浏览/下载:106/3
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提交时间:2025/01/13
Conformations
Glycoproteins
Molecular dynamics
Antifreeze activities
Antifreeze glycoprotein
Binding groups
Dynamics simulation
Growth inhibition
Growth-inhibition activities
Hydrophobics
Hydroxyl groups
Ice growth
β-linkage
Second Hydration Shell of Mg2+: Competition between Ion-Water Interaction and Hydrogen Bonding Interaction
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2024, 卷号: 16, 期号: 2, 页码: 503-509
作者:
Li, Weiyu
;
Sun, Zhaoru
Adobe PDF(1992Kb)
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浏览/下载:102/4
|
提交时间:2025/01/10
Hydrogen bonds
Ionization of liquids
Molecular dynamics
Chemical and biologicals
Effect of ions
First hydration shell
Hydration shell
Hydrogen bonding interactions
Ion pairs
Ion water
Ion-water interactions
Mg 2
Role of the structural order of the hydration layer in regulating the heterogeneous ice nucleation efficiency
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2024, 卷号: 412
作者:
Huang, Yujie
;
Liang, Wenlong
;
Huang, Luyao
;
Zhang, Yue
;
Yang, Haijun
Adobe PDF(4638Kb)
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浏览/下载:303/7
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提交时间:2024/09/20
Crystal orientation
Hydrogen bonds
Ice
Molecular orientation
Wetting
Dynamics simulation
Heterogeneous ice nucleation
Hydration layers
Hydrogen bond networks
Hydrogen-bond networks
Ice nucleation
Molecular dynamic simulation
Nucleation rate
Structural ordering
Water orientations
The Atomistic Understanding of the Ice Recrystallization Inhibition Activity of Antifreeze Glycoproteins
期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 3
作者:
Yang, Wentao
;
Liao, Yucong
;
Shi, Qi
;
Sun, Zhaoru
Adobe PDF(4524Kb)
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收藏
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浏览/下载:2802/1992
|
提交时间:2023/04/19
antifreeze
ice growth
antifreeze glycoproteins
ice recrystallization inhibition
Moire Phonons in Magic-Angle Twisted Bilayer Graphene
期刊论文
NANO LETTERS, 2022
作者:
Liu, Xiaoqian
;
Peng, Ran
;
Sun, Zhaoru
;
Liu, Jianpeng
Adobe PDF(4137Kb)
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收藏
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浏览/下载:374/0
|
提交时间:2022/10/18
twisted bilayer graphene
moire phonons
electron-phonon coupling
charge order
deep potential molecular dynamics
On-Surface Synthesis of C144 Hexagonal Coronoid with Zigzag Edges
期刊论文
ACS NANO, 2022
作者:
Zhu, Xujie
;
Liu, Yanan
;
Pu, Weiwen
;
Liu, Fangzi
;
Xue, Zhijie
Adobe PDF(3481Kb)
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收藏
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浏览/下载:419/3
|
提交时间:2022/06/22
on-surface synthesis
coronoid, nanoporous graphene
zigzag edge
aromaticity
The Influence of Surface Chemistry on Critical Current Density for Garnet Electrolyte
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022
作者:
Chen, Shaojie
;
Nie, Zhiwei
;
Tian, Feifei
;
Nie, Lu
;
Wei, Ran
Adobe PDF(2535Kb)
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收藏
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浏览/下载:535/6
|
提交时间:2022/03/18
Critical currents
Garnets
Lithium batteries
Lithium compounds
Solid electrolytes
Wetting
Critical current density
Electrolyte interfacial resistance
Energy density
Further development
Interfacial impedance
Interlayer
Li 2CO 3
Lithium dendrite
Lower critical
Solid-state lithium batteries
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