1 citations · 2 across the 8 of their papers we have counts for
12 papers
A kinetic model of electron transfer at the electrode-electrolyte interface: Statistical mechanics and electrochemical aspects
Diego Veloza-Diaz, Robinson Cortes-Huerto, Pietro Ballone +1
A new simulation approach ({\it J. Chem. Phys.} {\bf 163}, 164113), based on the seamless combination of the electron transfer at the electrode/electrolyte interface with the charg…
A hidden bulk polymorph governs charge transport dimensionality in an organic semiconductor
Caterina Zuffa, Marco Bardini, Fabian Gasser +11
Organic semiconductors (OSCs) are widely explored for flexible optoelectronic technologies, with performance governed not only by molecular design, but also by solid-state packing,…
Hidden long-range correlations in the ion distribution at the graphite / [bmim][NTf] electrified interface
Diego Veloza-Diaz, Robinson Cortes-Huerto, Pietro Ballone +1
A capacitor consisting of the [bmim][NTf] ionic liquid (IL) confined in between planar graphite electrodes has been investigated by molecular dynamics based on an all-atom, unp…
A kinetic model to simulate charge flow through an electrochemical half cell
Diego Veloza-Diaz, Friederike Schmid, Robinson Cortes-Huerto +2
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this proces…
Density Fluctuations, Solvation Thermodynamics and Coexistence Curves in Grand Canonical Molecular Dynamics Simulations
Mauricio Sevilla, Luis A. Baptista, Kurt Kremer +1
Fluid transport across nanometric channels induced by electric, pressure and concentration gradients is ubiquitous in biological systems and fosters various applications. In this c…
Smart polymer solution and thermal conductivity: How important is an exact polymer conformation?
Mokter M. Chowdhury, Robinson Cortes-Huerto, Debashish Mukherji
Heat management in devices is a key to their efficiency and longevity. Here, thermal switches (TS) are of great importance because of their ability to transition between different…