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Hybrid Monte Carlo
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New Insights into the Structure of Nanoporous Carbons from NMR, Raman, and Pair Distribution Function Analysis
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Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures
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The importance of ion size and electrode curvature on electrical double layers in ionic liquids
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Amorphous-silicon formation by rapid quenching: A molecular-dynamics study
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Enhanced hydrogen and methane gas storage of silicon oxycarbide derived carbon
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Characterization of Porous Glasses: Simulation Models, Adsorption Isotherms, and the Brunauer−Emmett−Teller Analysis Method
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Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study
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Freezing/melting phenomena for Lennard-Jones methane in slit pores: A Monte Carlo study
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The suitability of infinite slit-shaped pore model to describe the pores in highly porous carbon materials
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Molecular dynamics simulation of the frequency spectrum of amorphous silica
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The pressure-temperature phase and transformation diagram for carbon; updated through 1994
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DISCUS : a program for diffuse scattering and defect-structure simulation
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Nanoscale fine-tuning of porosity of carbide-derived carbon prepared from molybdenum carbide
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ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Investigation of the uniqueness of the reverse Monte Carlo method: Studies on liquid water
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Simulating Local Adsorption Isotherms in Structurally Complex Porous Materials: A Direct Assessment of the Slit Pore Model
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Tailoring the performance of graphene-based supercapacitors using topological defects: A theoretical assessment
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March 2014 |
Role of Surface Functional Groups in Ordered Mesoporous Carbide-Derived Carbon/Ionic Liquid Electrolyte Double-Layer Capacitor Interfaces
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Effects of structural disorder and surface chemistry on electric conductivity and capacitance of porous carbon electrodes
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Structural Modelling of Silicon Carbide-Derived Nanoporous Carbon by Hybrid Reverse Monte Carlo Simulation
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July 2013 |
Ordered mesoporous silicon carbide-derived carbon for high-power supercapacitors
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Mesoporous carbide-derived carbon with porosity tuned for efficient adsorption of cytokines
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Molecular-dynamics simulation of amorphous germanium
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Titanium carbide derived nanoporous carbon for energy-related applications
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Characterization and Adsorption Modeling of Silicon Carbide-Derived Carbons
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Molecular Insights into the Complex Relationship between Capacitance and Pore Morphology in Nanoporous Carbon-based Supercapacitors
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Structural Modeling of Porous Carbons: Constrained Reverse Monte Carlo Method
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September 2003 |
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
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Water Adsorption in Carbon-Slit Nanopores
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September 2003 |
Empirical potential Monte Carlo simulation of fluid structure
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Pore Size Distributions in Porous Glasses: A Computer Simulation Study
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January 1999 |
Modeling of hydrophilic wafer bonding by molecular dynamics simulations
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June 2001 |
Generalizing the environment-dependent interaction potential for carbon
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A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores
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November 1993 |
Carbide-Derived Carbons: A Comparative Study of Porosity Based on Small-Angle Scattering and Adsorption Isotherms
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Local structure of nanoporous carbons
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October 1999 |
Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel
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March 2009 |
First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes
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December 2013 |
Effect of pore size and surface area of carbide derived carbons on specific capacitance
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July 2006 |
Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes
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Charge transfer and storage in nanostructures
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October 2015 |
Atom-by-atom structural and chemical analysis by annular dark-field electron microscopy
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Graphitization of amorphous carbons: A comparative study of interatomic potentials
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November 2016 |
Uncertainties in characterization of nanoporous carbons using density functional theory-based gas physisorption
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June 2014 |
Structural evolution of carbide-derived carbons upon vacuum annealing
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November 2012 |
Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer
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September 2006 |
Enhanced capacitance of nitrogen-doped hierarchically porous carbide-derived carbon in matched ionic liquids
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Accelerating charging dynamics in subnanometre pores
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Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
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March 1989 |
Rapid-acquisition pair distribution function (RA-PDF) analysis
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Capacitive Energy Storage in Nanostructured Carbon–Electrolyte Systems
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High power density electrodes for Carbon supercapacitor applications
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July 2005 |
Detailed structural models for activated carbons from molecular simulation
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Carbon structures in silicon carbide derived carbon
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October 2006 |
Quantum Effects on the Capacitance of Graphene-Based Electrodes
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September 2015 |
Structural prediction of graphitization and porosity in carbide-derived carbons
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August 2017 |
On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores
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December 2012 |
Reverse Monte Carlo studies of nanoporous carbon from TiC
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Self-assembly of s p 2 -bonded carbon nanostructures from amorphous precursors
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Carbide-Derived Carbons - From Porous Networks to Nanotubes and Graphene
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A reactive potential for hydrocarbons with intermolecular interactions
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April 2000 |
Atomistic models for disordered nanoporous carbons using reactive force fields
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ReaxFF: A Reactive Force Field for Hydrocarbons
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October 2001 |
Mesoporous carbide-derived carbon for cytokine removal from blood plasma
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June 2010 |
Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption
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Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
Theoretical studies of icosahedral C60 and some related species
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Solvent effect on the ion adsorption from ionic liquid electrolyte into sub-nanometer carbon pores
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PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
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Molecular Modeling of Microporous Structures of Carbide-Derived Carbon-Based Supercapacitors
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Pressure-temperature phase diagram of elemental carbon
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Monolithic Carbide-Derived Carbon Films for Micro-Supercapacitors
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Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics
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Topological defects in nanoporous carbon
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August 2013 |
Nanoporous carbide-derived carbon with tunable pore size
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August 2003 |
In-Depth Investigation of the Carbon Microstructure of Silicon Carbide-Derived Carbons by Wide-Angle X-ray Scattering
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July 2014 |
Impact of synthesis conditions on surface chemistry and structure of carbide-derived carbons
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January 2010 |
Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene
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January 2015 |
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
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April 2012 |
Micro and mesoporosity of carbon derived from ternary and binary metal carbides
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July 2008 |
Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field
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March 2012 |
Adsorption of Gases in Multimolecular Layers
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February 1938 |
Atomic-scale imaging of individual dopant atoms and clusters in highly n-type bulk Si
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April 2002 |
Capacitance, charge dynamics, and electrolyte-surface interactions in functionalized carbide-derived carbon electrodes
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December 2015 |
A mimetic porous carbon model by quench molecular dynamics simulation
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June 2008 |
Constant pressure molecular dynamics algorithms
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September 1994 |
Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores
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Generation of amorphous carbon models using liquid quench method: A reactive molecular dynamics study
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Two-dimensional detector software: From real detector to idealised image or two-theta scan
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