Molecular interactions and thermal transport in ionic liquids with carbon nanomaterials

The Carbon-Water Interface: Modeling Challenges and Opportunities for the Water-Energy Nexus

(2016) Alberto Striolo et al.   Annual Review of Chemical and Biomolecular Engineering

Theoretical Study of Renewable Ionic Liquids in the Pure State and with Graphene and Carbon Nanotubes

(2015) Gregorio García et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic liquid-assisted exfoliation and dispersion: stripping graphene and its two-dimensional layered inorganic counterparts of their inhibitions

(2015) Sudhir Ravula et al.   Nanoscale

Ultrahigh-throughput exfoliation of graphite into pristine ‘single-layer’ graphene using microwaves and molecularly engineered ionic liquids

(2015) Michio Matsumoto et al.   Nature Chemistry

Nonadditivity of nanoparticle interactions

(2015) C. A. Silvera Batista et al.   SCIENCE

Thermophysical properties of ionic liquid dicyanamide (DCA) nanosystems

(2014) J.M.P. França et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Folding of Graphene Nanostructures Driven by Ionic Liquids Nanodroplets

(2014) Mert Atilhan et al.   Journal of Physical Chemistry C

Effect of structural defects on the thermal conductivity of graphene: From point to line defects to haeckelites

(2014) Zacharias G. Fthenakis et al.   PHYSICAL REVIEW B

Interactions and structure of ionic liquids on graphene and carbon nanotubes surfaces

(2014) Alfonso S. Pensado et al.   RSC Advances

A Novel Method to Determine the Thermal Conductivity of Interfacial Layers Surrounding the Nanoparticles of a Nanofluid

(2014) Rajinder Pal   Nanomaterials

Thermal Conductivity of [C4mim][(CF3SO2)2N] and [C2mim][EtSO4] and Their IoNanofluids with Carbon Nanotubes: Experiment and Theory

(2013) J. M. P. França et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Graphitic Carbon–Water Nonbonded Interaction Parameters

(2013) Yanbin Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Exploring Adsorption of Water and Ions on Carbon Surfaces Using a Polarizable Force Field

(2013) Patric Schyman et al.   Journal of Physical Chemistry Letters

The preparation of carbon dots/ionic liquids-based electrolytes and their applications in quasi-solid-state dye-sensitized solar cells

(2012) Huayu Xiong et al.   ELECTROCHIMICA ACTA

Thermal and Transport Properties of Six Ionic Liquids: An Experimental and Molecular Dynamics Study

(2012) Hongjun Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Interactions and Ordering of Ionic Liquids at a Metal Surface

(2012) Ana C. F. Mendonça et al.   Journal of Chemical Theory and Computation

Thermal properties of graphene: Fundamentals and applications

(2012) Eric Pop et al.   MRS BULLETIN

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Mixture of ionic liquid and carbon nanotubes: comparative studies of the structural characteristics and dispersion of the aggregated non-bundled and bundled carbon nanotubes

(2012) Morteza Mohammadi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CL&P: A generic and systematic force field for ionic liquids modeling

(2012) José N. Canongia Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Solvation and Stabilization of Metallic Nanoparticles in Ionic Liquids

(2011) Alfonso S. Pensado et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High level theoretical study of binding and of the potential energy surface in benzene–hydride system

(2011) Cecilia Coletti et al.   CHEMICAL PHYSICS

Molecular-scale insights into the mechanisms of ionic liquids interactions with carbon nanotubes

(2011) Andrey I. Frolov et al.   FARADAY DISCUSSIONS

A molecular dynamics investigation of the structural and dynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide

(2011) Hongjun Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Thermal conductivity of interfacial layers in nanofluids

(2011) Zhi Liang et al.   PHYSICAL REVIEW E

Ionogels, ionic liquid based hybrid materials

(2010) Jean Le Bideau et al.   CHEMICAL SOCIETY REVIEWS

Simulation insights into thermally conductive graphene-based nanocomposites

(2010) D. Konatham et al.   MOLECULAR PHYSICS

Benchmark calculations of water–acene interaction energies: Extrapolation to the water–graphene limit and assessment of dispersion–corrected DFT methods

(2010) Glen R. Jenness et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal conductivity of carbon nanotubes and their polymer nanocomposites: A review

(2010) Zhidong Han et al.   PROGRESS IN POLYMER SCIENCE

Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid

(2009) Youngseon Shim et al.   ACS Nano

Influence of Thermophysical Properties of Ionic Liquids in Chemical Process Design†

(2009) João M. P. França et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Thermal Properties of Ionic Liquids and IoNanofluids of Imidazolium and Pyrrolidinium Liquids†

(2009) C. A. Nieto de Castro et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulations

(2009) Mohammad Alaghemandi et al.   NANOTECHNOLOGY

Ionic-liquid materials for the electrochemical challenges of the future

(2009) Michel Armand et al.   NATURE MATERIALS

A combined model for the effective thermal conductivity of nanofluids

(2008) S.M.S. Murshed et al.   APPLIED THERMAL ENGINEERING