Molecular dynamics simulations of triflic acid and triflate ion/water mixtures: A proton conducting electrolytic component in fuel cells

The effects of the hydrophobic environment on proton mobility in perfluorosulfonic acid systems: an ab initio molecular dynamics study

(2010) Bradley F. Habenicht et al.   JOURNAL OF MATERIALS CHEMISTRY

Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane

(2010) Ram Devanathan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes

(2010) Junwu Liu et al.   Journal of Physical Chemistry C

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

(2010) Bradley F. Habenicht et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Performance enhancement of phosphoric acid-based proton exchange membrane fuel cells by using ammonium trifluoromethanesulfonate

(2009) Suk-Gi Hong et al.   ELECTROCHEMISTRY COMMUNICATIONS

Proton Transport in Triflic Acid Hydrates Studied via Path Integral Car−Parrinello Molecular Dynamics

(2009) Robin L. Hayes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Aspects of the Proton Transfer in Liquid Phosphonic Acid

(2009) Jan-Ole Joswig et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High temperature proton exchange membranes based on polybenzimidazoles for fuel cells

(2009) Qingfeng Li et al.   PROGRESS IN POLYMER SCIENCE

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Theoretical study of proton transfer in triflic acid/water, imidazole and pyrazole clusters

(2008) Xiaobing Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Molecular Dynamics Simulations of Heptyl Phosphonic Acid: A Potential Polymer Component for Fuel Cell Polymer Membrane

(2008) Sudip Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

(2008) Shengting Cui et al.   JOURNAL OF PHYSICAL CHEMISTRY B