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1

Mechanism of Efficient Proton Conduction in Diphosphoric Acid Elucidated via First-Principles Simulation and NMR

Krueger, Rachel A., Vilčiauskas, Linas, Melchior, Jan-Patrick, Bester, Gabriel, Kreuer, Klaus-Dieter

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.31 MB

english, 2015

2

Computational Study of Chemical and Electrochemical Intercalation of Li into Li 1+x Ti 2 O 4 Spinel Structures

Stauffer, Shannon K., Vilciauskas, Linas

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 41.14 MB

english, 2018

3

Superconductivity in the Y-Ba-Ca-Cu-O system

L. Vilciauskas, A. Beganskiene, A. Kareiva, K. Gibson, P. Ziegler, H.-J. Meyer

Journal:

Journal of Materials Science

Year:

2006

Language:

english

File:

PDF, 491 KB

english, 2006

4

Proton conductivity and diffusion in molten phosphinic acid (H3PO2): The last member of the phosphorus oxoacid proton conductor family

Linas Vilčiauskas, Carla C. de Araujo, Klaus-Dieter Kreuer

Journal:

Solid State Ionics

Year:

2012

Language:

english

File:

PDF, 430 KB

english, 2012

5

The mechanism of proton conduction in phosphoric acid

Vilčiauskas, Linas, Tuckerman, Mark E., Bester, Gabriel, Paddison, Stephen J., Kreuer, Klaus-Dieter

Journal:

Nature Chemistry

Year:

2012

Language:

english

File:

PDF, 872 KB

english, 2012

6

First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/imidazole (2:1) system

Vilčiauskas, Linas, Tuckerman, Mark E., Melchior, Jan P., Bester, Gabriel, Kreuer, Klaus-Dieter

Journal:

Solid State Ionics

Year:

2013

Language:

english

File:

PDF, 844 KB

english, 2013

7

Ab Initio Modeling of Proton Transfer in Phosphoric Acid Clusters

Vilciauskas, Linas, Paddison, Stephen J., Kreuer, Klaus-Dieter

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 534 KB

english, 2009

8

The nanosecond proton dynamics of phosphoric acid – from the solid to the melt – investigated by neutron backscattering

Frick, Bernhard, Vilčiauskas, Linas, Deen, Pascale P., Lyonnard, Sandrine

Journal:

Solid State Ionics

Year:

2013

Language:

english

File:

PDF, 1.09 MB

english, 2013

9

Vibron–vibron coupling from ab initio molecular dynamics simulations of a silicon cluster

Han, Peng, Vilčiauskas, Linas, Bester, Gabriel

Journal:

New Journal of Physics

Year:

2013

Language:

english

File:

PDF, 926 KB

english, 2013

10

On the origin of preferred bicarbonate production from carbon dioxide (CO 2 ) capture in aqueous 2-amino-2-methyl-1-propanol (AMP)

H. Stowe, L. Vilčiauskas, E. Paek, G. S. Hwang

Year:

2015

Language:

english

File:

PDF, 2.14 MB

english, 2015

11

Elucidation of dipolar dynamics and nature of structural phases in [(CH 3 ) 2 NH 2 ][Zn(HCOO) 3 ] hybrid perovskite framework

Simenas, Mantas, Balciunas, Sergejus, Ciupa, Aneta, Vilciauskas, Linas, Jablonskas, Dziugas, Kinka, Martynas, Sieradzki, Adam, Samulionis, Vytautas, Maczka, Miroslaw, Banys, Juras

Journal:

Journal of Materials Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.94 MB

english, 2019

12

Hybrid Density Functional Theory Study of NASICON-type Na x Ti 2 (PO 4 ) 3 (x = 1 â 4)

Vilciauskas, Linas, Gryaznov, Denis, Stauffer, Shannon Kaylie, Kotomin, Eugene A

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.37 MB

2020

13

Relaxing under pressure with rigid niccolite formate framework

Szeremeta, Anna Z., Nowok, Andrzej, Sieradzki, Adam, Simenas, Mantas, Vilciauskas, Linas, GÄgor, Anna, Maczka, Miroslaw, Paluch, Marian, Pawlus, Sebastian

Journal:

Journal of Materials Chemistry C

Year:

2020

File:

PDF, 1.55 MB

2020