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Mechanism of the generation of benzaldehyde and benzoic acid on Pd (111) surface during the destruction of toluene: Verification of experiments and models
期刊论文
APPLIED SURFACE SCIENCE, 2024, 卷号: 657, 页码: 11
作者:
Zhu, Yuxue
;
Li, Xiang
;
Zhang, Chenhang
;
Fang, Hongping
;
Bin, Feng
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/14
Catalysis
DFT
Activation energy
Pd
By-product
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
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  |  
浏览/下载:0/0
  |  
提交时间:2024/05/27
Li10GeP2S12 solid electrolyte
first-principles calculation
Ewald-summation-based electrostatic energy
machine learning- and active-learning-based LAsou method
ab initio molecular dynamics
Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12
作者:
Zhu, Bojin
;
Li, Zhen
;
Han, Tiankun
;
Yan, Youguo
;
Li, Jiawei
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  |  
浏览/下载:5/0
  |  
提交时间:2024/04/07
Asphaltene dispersibility
Crude oil viscosity
Molecular dynamics simulation
Density function theory calculation
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:
Tan, Yongkang
;
Tao, Xiaoma
;
Ouyang, Yifang
;
Peng Q(彭庆)
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  |  
浏览/下载:4/0
  |  
提交时间:2024/02/05
Irida-graphene
Hydrogen storage
Titanium decoration
First-principles calculation
Effect of topographic slope on the interaction between debris flows and riparian forests
期刊论文
LANDSLIDES, 2023, 页码: 12
作者:
Cui, Wen-rong
;
Chen, Jian-gang
;
Chen, Xiao-qing
;
Song, Dong-ri
;
Zhao, Wan-yu
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  |  
浏览/下载:1/0
  |  
提交时间:2024/03/14
Riparian forests
Debris flows
Slope
Ecological measures
Calculation of particle volume fraction in computational fluid dynamics-discrete element method simulation of particulate flows with coarse particles
期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 11, 页码: 17
作者:
Zhang Y(张岩)
;
Ren WL(任万龙)
;
Li P(李鹏)
;
Zhang XH(张旭辉)
;
Lu XB(鲁晓兵)
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浏览/下载:0/0
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提交时间:2024/01/22
Evaluation of the performance of the latest WRF model (V4.5) in simulating surface elements and its sensitivity to the diurnal SST cycle in the South China Sea
期刊论文
CLIMATE DYNAMICS, 2023, 页码: 18
作者:
Shi, Rui
;
Chen, Ju
;
He, Yunkai
;
Song, Wei
;
Li, Daning
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  |  
浏览/下载:7/0
  |  
提交时间:2023/12/12
WRF model
Surface scheme
Model performance
South China Sea
Toward Propulsive Performance Evaluation of a Robotic Tuna Based on the Damping-Elastic Composite Mechanism
期刊论文
IEEE-ASME TRANSACTIONS ON MECHATRONICS, 2023, 页码: 11
作者:
Wang, Xiaofei
;
Zhou, Chao
;
Wang, Jian
;
Fan, Junfeng
;
Zhang, Zhuoliang
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  |  
浏览/下载:13/0
  |  
提交时间:2023/11/15
Biomimetic robot
composite mechanism
passive propulsion
Theoretical modeling of trail formation of a migrating neutrophil on substrate
期刊论文
ACTA MECHANICA SINICA, 6, 2023, 卷号: 39, 页码: 622461
作者:
Zhang XN(张晓宁)
;
Hu WR(胡文瑞)
;
Gao WB(高文博)
;
Zhang Y(章燕)
;
Long M(龙勉)
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  |  
浏览/下载:12/0
  |  
提交时间:2023/07/17
Neutrophil migration
Trail formation
Theoretical modeling
Numerical calculation
Parametric analysis
Global and Full-Dimensional Potential Energy Surfaces of the N2+O2 Reaction for Hyperthermal Collisions
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2023
作者:
Tao, Chun
;
Yang, Jiawei
;
Hong QZ(洪启臻)
;
Sun QH(孙泉华)
;
Li, Jun
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  |  
浏览/下载:14/0
  |  
提交时间:2023/06/15
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