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Hydrogen storage capacity of alkali metal atoms decorated porous graphene
期刊论文
Wuli Xuebao/Acta Physica Sinica, 2020, 卷号: 69, 期号: 6
作者:
Yuan, Li-Hua
;
Gong, Ji-Jun
;
Wang, Dao-Bin
;
Zhang, Cai-Rong
;
Zhang, Mei-Ling
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Adatoms
Atoms
Desorption
Flow of solids
Gas adsorption
Graphene
Lithium
Molecular dynamics
Molecules
Nanopores
System stability
Temperature
Van der Waals forces
Ab initio molecular dynamics
Ab initio molecular dynamics simulation
Charge density difference
First principles method
Generalized gradient approximations
Hydrogen adsorption capacity
Hydrogen storage capacities
Van Der Waals interactions
Shape and Surface Charge Modulation of Topological Domains in Oxide Multiferroics
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 4, 页码: 2557-2564
作者:
Han, Meng-Jiao
;
Wang, Yu-Jia
;
Tang, Yun-Long
;
Zhu, Yin-Lian
;
Ma, Jin-Yuan
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  |  
浏览/下载:6/0
  |  
提交时间:2019/11/15
Bismuth compounds
Electric fields
High resolution transmission electron microscopy
Iron compounds
Nanotechnology
Niobium compounds
Scanning electron microscopy
Scanning probe microscopy
Strontium titanates
Substrates
Surface charge
Titanium compounds
Topology
External electric field
Formation mechanism
Nanoscale electronic devices
Phase-field simulation
Piezoresponse force microscopy
Scanning transmission electron microscopy
Surface charge accumulations
Surface-charge modulations
Experimental investigation of the electron impact excitation behavior in pulse-modulated radio frequency Ar/O-2 inductively coupled plasma
期刊论文
JOURNAL OF APPLIED PHYSICS, 2019, 卷号: 125
作者:
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浏览/下载:4/0
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提交时间:2019/12/02
CCD cameras
Charge coupled devices
Electric discharges
Electrons
Excited states
Impact ionization
Inductively coupled plasma
Plasma simulation
Radio waves, Bi-modal structures
Capacitive couplings
Discharge conditions
Electron-impact excitation
Experimental investigations
Inductive couplings
Intensified charge coupled device camera
Radio frequencies, Frequency modulation
Effect of Layer Charge Characteristics on the Distribution Characteristics of H2O and Ca2+ in Ca-Montmorillonites Interlayer Space: Molecular Dynamics Simulation
期刊论文
MATERIALS, 2019, 卷号: 12, 期号: 14
作者:
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  |  
浏览/下载:35/0
  |  
提交时间:2019/12/11
montmorillonite
charge densities
charge position
distribution
characteristics
molecular dynamics simulation
Effect of Layer Charge Density on Hydration Properties of Montmorillonite: Molecular Dynamics Simulation and Experimental Study
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 16
作者:
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  |  
浏览/下载:34/0
  |  
提交时间:2019/12/11
montmorillonite
layer charge density
hydration property
molecular
dynamics simulation
experiment
A probe into underlying factors affecting utrafast charge transfer at Donor/IDIC interface of all-small-molecule nonfullerene organic solar cells
期刊论文
Journal of Photochemistry and Photobiology A: Chemistry, 2019, 卷号: Vol.375, 页码: 1-8
作者:
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浏览/下载:24/0
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提交时间:2019/12/17
Nonfullerene
organic
solar
cells
Charge
transfer
process
MD
simulation
Range-separation
parameter
DFT/TD-DFT
Influence of Complex Terrains on Electric Field under Overhead Lines
期刊论文
Proceedings - 2018 5th International Conference on Information Science and Control Engineering, ICISCE 2018, 2019, 页码: 275-279
作者:
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  |  
浏览/下载:7/0
  |  
提交时间:2019/12/11
charge simulation method
complex terrain
electric field
overhead line
surface charge method
Adsorption of Monovalent Cations and Surface Charge Inversion Within Nanopores Studied by Ion Current Response and Poisson-Nernst-Planck Simulations
期刊论文
NANOSCIENCE AND NANOTECHNOLOGY LETTERS, 2019, 卷号: 11, 页码: 205-213
作者:
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/30
Nanopore
Ion Adsorption
Charge Inversion
Ion Current Response
Poisson-Nernst-Planck Simulation
Study of single event transient induced by heavy-ion in NMOS transistor and CMOS inverter
期刊论文
CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, 2019, 卷号: 31
作者:
Gao, Cheng
;
Zhang, Rui
;
Huang, Jiaoying
;
Fu, Chengcheng
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  |  
浏览/下载:11/0
  |  
提交时间:2019/12/30
bipolar amplification
charge collection
single event transient
TCAD simulation
Theoretical evaluation of microscopic structural and macroscopic thermo-physical properties of molten AF-ThF4 systems (A = Li+, Na+ and K+)
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 277, 期号: -, 页码: 409—417
作者:
Guo, XJ
;
Qian, HL
;
Dai, JX
;
Liu, WH
;
Hu, JT
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2019/12/30
MOLECULAR-DYNAMICS SIMULATION
CHARGE DECOMPOSITION ANALYSIS
SALT REACTOR
1ST-PRINCIPLES DESCRIPTION
LIQUID BEF2
BASIS-SETS
MIXTURES
THORIUM
SCHEME
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