Linas Vilciauskas
Linas Vilciauskas
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Zitiert von
Zitiert von
The mechanism of proton conduction in phosphoric acid
L Vilčiauskas, ME Tuckerman, G Bester, SJ Paddison, KD Kreuer
Nature chemistry 4 (6), 461-466, 2012
Ab initio modeling of proton transfer in phosphoric acid clusters
L Vilciauskas, SJ Paddison, KD Kreuer
The Journal of Physical Chemistry A 113 (32), 9193-9201, 2009
First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/imidazole (2:1) system
L Vilčiauskas, ME Tuckerman, JP Melchior, G Bester, KD Kreuer
Solid State Ionics 252, 34-39, 2013
On the origin of preferred bicarbonate production from carbon dioxide (CO2) capture in aqueous 2-amino-2-methyl-1-propanol (AMP)
HM Stowe, L Vilčiauskas, E Paek, GS Hwang
Physical Chemistry Chemical Physics 17 (43), 29184-29192, 2015
Structure and Li+ ion transport in a mixed carbonate/LiPF 6 electrolyte near graphite electrode surfaces: a molecular dynamics study
MJ Boyer, L Vilčiauskas, GS Hwang
Physical Chemistry Chemical Physics 18 (40), 27868-27876, 2016
The nanosecond proton dynamics of phosphoric acid–from the solid to the melt–investigated by neutron backscattering
B Frick, L Vilčiauskas, PP Deen, S Lyonnard
Solid State Ionics 252, 26-33, 2013
Mechanism of efficient proton conduction in diphosphoric acid elucidated via first-principles simulation and NMR
RA Krueger, L Vilčiauskas, JP Melchior, G Bester, KD Kreuer
The Journal of Physical Chemistry B 119 (52), 15866-15875, 2015
Proton conductivity and diffusion in molten phosphinic acid (H3PO2): The last member of the phosphorus oxoacid proton conductor family
L Vilčiauskas, CC de Araujo, KD Kreuer
Solid State Ionics 212, 6-9, 2012
Elucidation of dipolar dynamics and the nature of structural phases in the [(CH 3) 2 NH 2][Zn (HCOO) 3] hybrid perovskite framework
M Šimėnas, S Balčiūnas, A Ciupa, L Vilčiauskas, D Jablonskas, M Kinka, ...
Journal of Materials Chemistry C 7 (22), 6779-6785, 2019
Launching the Theoretical Crystallography Open Database
TBPMR S. Grazulis, A. Merkys, A. Vaitkus, A. Le Bail, D. Chateigner, L ...
23rd Congress of the International Union of Crystallography 70 (C1736), 2014
Comment on “Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations”
L Vilčiauskas, KD Kreuer
Chemistry of Materials 23 (14), 3377-3378, 2011
Vibron–vibron coupling from ab initio molecular dynamics simulations of a silicon cluster
P Han, L Vilčiauskas, G Bester
New Journal of Physics 15 (4), 043039, 2013
Proton transport mechanisms of phosphoric acid and related phosphorus oxoacid systems: a first principles molecular dynamics study
L Vilciauskas
PhD Thesis, 2012
Superconductivity in the Y-Ba-Ca-Cu-O system
L Vilciauskas, A Beganskiene, A Kareiva, K Gibson, P Ziegler, HJ Meyer
Journal of Materials Science 41 (2), 579-581, 2006
Computational Study of Chemical and Electrochemical Intercalation of Li Into Li1+xTi2O4 Spinel Structures
SK Stauffer, L Vilčiauskas
The Journal of Physical Chemistry C 122 (14), 7779-7789, 2018
Relaxing under pressure with a rigid niccolite formate framework
AZ Szeremeta, A Nowok, A Sieradzki, M Simenas, L Vilčiauskas, A Gągor, ...
Journal of Materials Chemistry C 8 (47), 16736-16741, 2020
Hybrid density functional theoretical study of NASICON-type Na x Ti 2 (PO 4) 3 (x= 1–4)
D Gryaznov, SK Stauffer, EA Kotomin, L Vilčiauskas
Physical Chemistry Chemical Physics 22 (21), 11861-11870, 2020
Insights into the hydrogen bond network topology of phosphoric acid and water systems
A Mikalčiūtė, L Vilciauskas
Physical Chemistry Chemical Physics, 2021
Density Functional Theory Studies of Cu and Sn Surfaces relevant for Electroplating
SK Stauffer, L Vilčiauskas, A Survila
2018-Sustainable Industrial Processing Summit 2, 209-210, 2018
First Principles Molecular Dynamics Simulations of Proton Transport in Phosphoric Acid
L Vilciauskas
ECS Meeting Abstracts, 1731, 2010
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