Proton transfer and coherent phenomena in molecular structures with hydrogen bonds

VV Krasnoholovets, PM Tomchuk… - Advances in Chemical …, 2003 - Wiley Online Library
In this chapter the specific physical effects in structures with hydrogen bonds receive most of
the authors' attention. Considerable attention is given to the description of theoretical …

Density of states of one-dimensional Pauli ionic conductor

IV Stasyuk, IR Dulepa - Condensed Matter Physics, 2007 - dspace.nbuv.gov.ua
Microscopic one-dimensional noninteracting model for the description of the energy
spectrum of the ion subsystem in ionic conductor is considered. The processes of ionic …

Hydrogen transport in superionic system RbH(SeO): A revised cooperative migration mechanism

N Pavlenko, A Pietraszko, A Pawlowski… - Physical Review B …, 2011 - APS
We performed density functional studies of electronic properties and mechanisms of
hydrogen transport in Rb 3 H (SeO 4) 2 crystal that represents technologically promising …

One-particle spectrum and phase transition in ionic Pauli conductor

IV Stasyuk, IR Dulepa - Journal of Physical Studies, 2009 - elibrary.ru
A microscopic simple noninteracting model for the description of the energy spectrum of ion
subsystem in Pauli ionic conductor is considered. Phase diagram of the model is obtained …

Dynamics of charge transfer along hydrogen bond

IV Stasyuk, RY Stetsiv… - Condensed Matter …, 2002 - dspace.nbuv.gov.ua
The pseudospin-electron model is formulated for the description of the correlated proton-
electron charge transfer in the complex with hydrogen bonds. The energy spectrum of the …

Peierls instabilities in quasi-one-dimensional quantum double-well chains

NI Pavlenko - Physical Review B, 2000 - APS
Peierls-type instabilities in quarter-filled (n̄= 1/2) and half-filled (n̄= 1) quantum double-
well hydrogen-bonded chain are investigated analytically in the framework of two-stage …

Kinetic Monte Carlo simulations of proton conductivity

T Masłowski, A Drzewiński, J Ulner, J Wojtkiewicz… - Physical Review E, 2014 - APS
The kinetic Monte Carlo method is used to model the dynamic properties of proton diffusion
in anhydrous proton conductors. The results have been discussed with reference to a two …

Influence of inter-chain correlations on proton ordering in MeHXO4 protonic conductors

I Stasyuk, O Vorobyov, B Hilczer - Solid State Ionics, 2001 - Elsevier
Energy spectrum and thermodynamics of the proton subsystem of the crystal with chains of
hydrogen bonds are investigated. The consideration is based on the orientational-tunneling …

Some peculiarities of proton transport in quasi-one-dimensional hydrogen-bonded chains

NI Pavlenko - The Journal of Chemical Physics, 2000 - pubs.aip.org
The protonic conductivity in the hydrogen-bonded chains is investigated theoretically in the
framework of the two-stage transport model. The strong interactions with optical phonon …

Proton wires in an electric field: the impact of the Grotthuss mechanism on charge translocation

N Pavlenko - Journal of Physics: Condensed Matter, 2002 - iopscience.iop.org
We present the results of the modelling of proton translocation in finite H-bonded chains in
the framework of the two-stage proton transport model. We explore the influence of …