99 citations · 411 across the 9 of their papers we have counts for
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physics.chem-ph2023
Giant proton transmembrane transport through sulfophenylated graphene in a direct methanol fuel cell
Weizhe Zhang, Max Makurat, Xue Liu +21
An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically f…
physics.chem-ph2015★ 5 cited
Design and synthesis of aromatic molecules for probing electric-fields at the nanoscale
Sanli Faez, Nico R. Verhart, Marios Markoulides +3
We propose using halogenated organic dyes as nanoprobes for electric field and show their greatly enhanced Stark coefficients using density functional theory (DFT) calculations. We…
physics.chem-ph2000★ 31 cited
Spontaneous formation and stability of small GaP fullerenes
V. Tozzini, F. Buda, A. Fasolino
We report the spontaneous formation of a GaP fullerene cage in ab-initio Molecular Dynamics simulations starting from a bulk fragment. A systematic study of the geometric and elect…