Search Results - "Vilčiauskas, Linas"

Mechanism of Efficient Proton Conduction in Diphosphoric Acid Elucidated via First-Principles Simulation and NMR by Krueger, Rachel A, Vilčiauskas, Linas, Melchior, Jan-Patrick, Bester, Gabriel, Kreuer, Klaus-Dieter

“…Diphosphoric acid (H4P2O7) is the first condensation product of phosphoric acid (H3PO4), the compound with the highest intrinsic proton conductivity in the…”
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Peculiarities of Phase Formation in Mn-Based Na SuperIonic Conductor (NaSICon) Systems: The Case of Na1+2x Mn x Ti2–x (PO4)3 (0.0 ≤ x ≤ 1.5) by Snarskis, Gustautas, Pilipavičius, Jurgis, Gryaznov, Denis, Mikoliu̅naitė, Lina, Vilčiauskas, Linas

“…NAtrium SuperIonic CONductor (NASICON) structured phosphate framework compounds are attracting a great deal of interest as suitable electrode materials for…”
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Solvothermal Engineering of NaTi2(PO4)3 Nanomorphology for Applications in Aqueous Na-Ion Batteries by Gečė, Gintarė, Pilipavičius, Jurgis, Traškina, Nadežda, Drabavičius, Audrius, Vilčiauskas, Linas

“…Aqueous Na-ion batteries are among the most discussed alternatives to the currently dominating Li-ion battery technology, in the area of stationary storage…”
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Fullerene Complexation in a Hydrogen-Bonded Porphyrin Receptor via Induced-Fit: Cooperative Action of Tautomerization and C–H···π Interactions by Jozeliu̅naitė, Augustina, Neniškis, Algirdas, Bertran, Arnau, Bowen, Alice M., Di Valentin, Marilena, Raišys, Steponas, Baronas, Paulius, Kazlauskas, Karolis, Vilčiauskas, Linas, Orentas, Edvinas

“…A supramolecular chiral hydrogen-bonded tetrameric aggregate possessing a large cavity and tetraarylporphyrin substituents was assembled using alternating 4H-…”
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Polydopamine Derived NaTi2(PO4)3–Carbon Core–Shell Nanostructures for Aqueous Batteries and Deionization Cells by Traškina, Nadežda, Gečė, Gintarė, Pilipavičius, Jurgis, Vilčiauskas, Linas

“…Due to their stability and structural freedom, NASICON-structured materials such as NaTi2(PO4)3 show a lot of promise as active electrode materials for aqueous…”
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Comment on “Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations” by Vilčiauskas, Linas, Kreuer, Klaus-Dieter

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On the Symmetry, Electronic Properties, and Possible Metallic States in NASICON-Structured A4V2(PO4)3 (A = Li, Na, K) Phosphates by Gryaznov, Denis, Vilčiauskas, Linas

“…In this work, the electronic structure and properties of NASICON-structured A4V2(PO4)3, where A = Li, Na, K were studied using hybrid density functional theory…”
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The mechanism of proton conduction in phosphoric acid by Vilčiauskas, Linas, Tuckerman, Mark E., Bester, Gabriel, Paddison, Stephen J., Kreuer, Klaus-Dieter

“…Neat liquid phosphoric acid (H 3 PO 4 ) has the highest intrinsic proton conductivity of any known substance and is a useful model for understanding proton…”
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The mechanism of NaTi2(PO4)3 aqueous electrochemical degradation revisited by Pilipavičius, Jurgis, Traškina, Nadežda, Juodkazytė, Jurga, Vilčiauskas, Linas

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On the Symmetry, Electronic Properties, and Possible Metallic States in NASICON-Structured A 4 V 2 (PO 4 ) 3 (A = Li, Na, K) Phosphates by Gryaznov, Denis, Vilčiauskas, Linas

“…In this work, the electronic structure and properties of NASICON-structured A V (PO ) , where A = Li, Na, K were studied using hybrid density functional theory…”
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On the Symmetry, Electronic Properties, and Possible Metallic States in NASICON-Structured A[sub.4]V[sub.2] Phosphates by Gryaznov, Denis, Vilčiauskas, Linas

“…In this work, the electronic structure and properties of NASICON-structured A[sub.4]V[sub.2](PO[sub.4])[sub.3], where A = Li, Na, K were studied using hybrid…”
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On the origin of preferred bicarbonate production from carbon dioxide (CO₂) capture in aqueous 2-amino-2-methyl-1-propanol (AMP) by Stowe, Haley M, Vilčiauskas, Linas, Paek, Eunsu, Hwang, Gyeong S

“…AMP and its blends are an attractive solvent for CO2 capture, but the underlying reaction mechanisms still remain uncertain. We attempt to elucidate the…”
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A Comparative Study of Mixed Phosphate‐Pyrophosphate Materials for Aqueous and Non‐Aqueous Na‐ion Batteries by Gečė, Gintarė, Zarrabeitia, Maider, Pilipavičius, Jurgis, Passerini, Stefano, Vilčiauskas, Linas

“…Na‐ion batteries based on abundant and sustainable materials might become one of the leading alternative technologies especially suitable for large‐scale…”
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First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/imidazole (2:1) system by Vilčiauskas, Linas, Tuckerman, Mark E., Melchior, Jan P., Bester, Gabriel, Kreuer, Klaus-Dieter

“…Phosphoric acid based polymer electrolyte membranes (e.g. poly(benzimidazole)/phosphoric acid) are the only quasi-anhydrous separator electrolytes for medium…”
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Computational Study of Chemical and Electrochemical Intercalation of Li Into Li 1+ x Ti 2 O 4 Spinel Structures by Stauffer, Shannon K., Vilčiauskas, Linas

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Electrochemical Performance of NASICON-structured Na3-x V2-xTix(PO4)3 (0.0 < x < 1.0) as aqueous Na-ion battery positive electrodes by Petrulevičienė, Milda, Pilipavičius, Jurgis, Juodkazytė, Jurga, Gryaznov, Denis, Vilčiauskas, Linas

“…Phosphate frameworks with NASICON structure are among the most studied and applied Li- and Na-ion battery electrode and electrolyte materials. In this work,…”
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The nanosecond proton dynamics of phosphoric acid – from the solid to the melt – investigated by neutron backscattering by Frick, Bernhard, Vilčiauskas, Linas, Deen, Pascale P., Lyonnard, Sandrine

“…We present a quasielastic incoherent neutron scattering study of the proton dynamics in phosphoric acid. The nanosecond timescale dynamics is investigated in…”
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The Use of Reductive Agents for Developing Capacity Balanced Aqueous Sodium‐Ion Batteries by Petrulevičienė, Milda, Traškina, Nadežda, Pilipavičius, Jurgis, Juodkazytė, Jurga, Vilčiauskas, Linas

“…Aqueous sodium‐ion batteries (Na‐ion batteries) represent an attractive low cost stationary energy storage technology. However, limited electrochemical…”
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Peculiarities of Phase Formation in Mn-Based Na SuperIonic Conductor (NaSICon) Systems: The Case of Na1+2xMnxTi2–x(PO4)3 (0.0 ≤ x ≤ 1.5) by Snarskis, Gustautas, Pilipavičius, Jurgis, Gryaznov, Denis, Mikoliu̅naitė, Lina, Vilčiauskas, Linas

“…NAtrium SuperIonic CONductor (NASICON) structured phosphate framework compounds are attracting a great deal of interest as suitable electrode materials for…”
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Vibron-vibron coupling from ab initio molecular dynamics simulations of a silicon cluster by Han, Peng, Vil iauskas, Linas, Bester, Gabriel

“…We study the temperature-dependent dynamical processes of a Si10H16 cluster and obtain a blue shift of the Si-Si vibrational modes with transverse acoustic…”
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