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Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 12, 页码: 14087-14094
作者:
Zhang, Zhi-Hui
;
Lan, Jian-Hui
;
Yuan, Li-Yong
;
Sheng, Pan-Pan
;
He, Ming-Yang
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2020/12/16
LANTHANIDE MOFS
MOLECULAR-DYNAMICS
AROMATIC FRAMEWORK
EFFICIENT REMOVAL
AQUEOUS-SOLUTION
ADSORPTION
SEPARATION
DESIGN
RECOVERY
STORAGE
Tailored electrochemical behavior of ta-C film by glancing angle deposition
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 516
作者:
Wei, Jing
;
Guo, Peng
;
Liu, Linlin
;
Li, Hanchao
;
Li, Hao
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浏览/下载:129/0
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提交时间:2020/12/16
DIAMOND-LIKE CARBON
MOLECULAR-DYNAMICS SIMULATION
THIN-FILMS
CORROSION BEHAVIOR
GROWTH
MICROSTRUCTURE
NANOMATERIALS
EVOLUTION
SURFACES
Macroscale Superlubricity Enabled by Graphene-Coated Surfaces
期刊论文
ADVANCED SCIENCE, 2020, 卷号: 7, 期号: 4
作者:
Zhang, Zhenyu
;
Du, Yuefeng
;
Huang, Siling
;
Meng, Fanning
;
Chen, Leilei
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  |  
浏览/下载:26/0
  |  
提交时间:2020/12/16
ULTRA-LOW FRICTION
RAMAN-SPECTROSCOPY
NITROGEN ATMOSPHERE
MOLECULAR-DYNAMICS
FILMS
OXIDE
LUBRICANT
SUBSTRATE
ADHESION
WEAR
Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films
期刊论文
ACTA MATERIALIA, 2020, 卷号: 196, 页码: 313-324
作者:
Liu, Sida
;
Chang, Keke
;
Music, Denis
;
Chen, Xiang
;
Mraz, Stanislav
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浏览/下载:36/0
  |  
提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
ALUMINUM NITRIDE
THERMODYNAMIC ASSESSMENT
OPTICAL-PROPERTIES
ELASTIC PROPERTIES
AL-V
STABILITY
TIALN
TRANSFORMATION
DECOMPOSITION
Very large Dzyaloshinskii-Moriya interaction in two-dimensional Janus manganese dichalcogenides and its application to realize skyrmion states
期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 18
作者:
Liang, Jinghua
;
Wang, Weiwei
;
Du, Haifeng
;
Hall, Ali
;
Garcia, Karin
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浏览/下载:107/0
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提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
ELECTRONIC-STRUCTURE
FERROMAGNETISM
TRANSITION
SURFACES
CRYSTAL
LATTICE
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
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  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
作者:
Li, Yanjun
;
Qiu, Nianxiang
;
Bai, Xiaojing
;
Sun, Ningru
;
Yu, Xiaohui
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  |  
浏览/下载:30/0
  |  
提交时间:2018/12/04
Molecular-dynamics Simulations
Equation-of-state
Clathrate Hydrate
Hydrogen Storage
Cage Occupancy
Gas-mixtures
Clapeyron Equation
Neon-hydrate
Co2 Capture
Dissociation
Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
作者:
Huang, Qing
;
Qiu, Nianxiang
;
Bai, Xiaojing
;
Sun, Ningru
;
Yu, Xiaohui
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/12/04
Molecular-dynamics Simulations
Equation-of-state
Clathrate Hydrate
Hydrogen Storage
Cage Occupancy
Gas-mixtures
Clapeyron Equation
Neon-hydrate
Co2 Capture
Dissociation
Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene
期刊论文
CARBON, 2018, 卷号: 138, 页码: 451-457
作者:
Neupane, Mahesh R.
;
Li, Chenyang
;
Debnath, Bishwajit
;
Tan, Xiaojian
;
Su, Shanshan
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  |  
浏览/下载:34/0
  |  
提交时间:2018/12/04
Few-layer Graphene
Molecular-dynamics
Phonon-dispersion
Raman-scattering
Simulations
Rotations
Transport
Metals
Sheets
Counterpropagating topological interface states in graphene patchwork structures with regular arrays of nanoholes
期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 98, 期号: 19
作者:
Hu, Xiao
;
Yang, Hongxin
;
Jiang, Yong-Cheng
;
Kariyado, Toshikaze
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/12/04
Initio Molecular-dynamics
Total-energy Calculations
Massless Dirac Fermions
Wave Basis-set
Antidot Lattices
Electronic-properties
Semiconductors
Superlattices
Lithography
Realization
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