List of works - Stephen J Paddison

A Key concept in Magnesium Secondary Battery Electrolytes

scientific article published on 2 September 2015

A comparative ab initio study of the primary hydration and proton dissociation of various imide and sulfonic acid ionomers

scientific article published on 09 February 2012

A macroscopic model of proton transport through the membrane-ionomer interface of a polymer electrolyte membrane fuel cell.

scientific article published in February 2013

Ab initio modeling of proton transfer in phosphoric acid clusters

scientific article published on 01 August 2009

Ab initio molecular dynamics simulations investigating proton transfer in perfluorosulfonic acid functionalized carbon nanotubes

scientific article published on 16 June 2010

Ab initio molecular dynamics simulations of aqueous triflic acid confined in carbon nanotubes.

scientific article published in August 2014

Ab initio molecular dynamics simulations of water and an excess proton in water confined in carbon nanotubes

scientific article published in September 2014

Ab initio simulations of the effects of nanoscale confinement on proton transfer in hydrophobic environments

scientific article published on 25 August 2011

About the choice of the protogenic group in polymer electrolyte membranes: Ab initio modelling of sulfonic acid, phosphonic acid, and imidazole functionalized alkanes

scientific article published on 12 September 2006

Anomalous ground state of the electrons in nanoconfined water

scientific article published on 19 July 2013

Correct virial formulation in the isotropic periodic sum method

scientific article published on 01 October 2009

Direct calculation of the X-ray structure factor of ionic liquids

scientific article published on 4 April 2016

Effect of Sulfuric and Triflic Acids on the Hydration of Vanadium Cations: An ab Initio Study

scientific article

Effects of dielectric saturation and ionic screening on the proton self-diffusion coefficients in perfluorosulfonic acid membranes

scientific article published on 01 December 2005

Electron energy loss spectroscopy of polytetrafluoroethylene: experiment and first principles calculations

scientific article

Hydration and Proton Transfer in Highly Sulfonated Poly(phenylene sulfone) Ionomers: An Ab Initio Study ⬇️

scientific article published on January 11, 2013

Mesoscale modeling of hydrated morphologies of 3M perfluorosulfonic acid-based fuel cell electrolytes

scientific article published on 01 September 2010

Mesoscale modeling of hydrated morphologies of sulfonated polysulfone ionomers

scientific article published on 01 February 2014

Molecular modeling of proton transport in the short-side-chain perfluorosulfonic acid ionomer

scientific article published on 19 February 2008

Molecular modeling of the short-side-chain perfluorosulfonic acid membrane

scientific article published on 01 August 2005

On the consequences of side chain flexibility and backbone conformation on hydration and proton dissociation in perfluorosulfonic acid membranes

scientific article published on 28 March 2006

Proton transport in triflic acid hydrates studied via path integral car-parrinello molecular dynamics.

scientific article published in December 2009

Proton transport in triflic acid pentahydrate studied via ab initio path integral molecular dynamics

scientific article published on 24 March 2011

Quantitative Evidence of Mobile Ion Hopping in Polymerized Ionic Liquids

scientific article published on 04 January 2021

Side chain flexibility in perfluorosulfonic acid ionomers: an ab initio study

scientific article published on 27 September 2013

The effect of hydrogen bond reorganization and equivalent weight on proton transfer in 3M perfluorosulfonic acid ionomers.

scientific article published on 6 November 2012

The mechanism of proton conduction in phosphoric acid

scientific article published on 22 April 2012

Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology

scientific article published on 01 October 2004

List of works by Stephen J Paddison