Moksliniai straipsniai

Ion Motion Determines Multiphase Performance Dynamics of Perovskite LEDs

Chmeliov, J., Elkhouly, K., Gegevičius, R., Jonušis, L., Devižis, A., Gelžinis, A., … & Gulbinas, V. (2021). Ion Motion Determines Multiphase Performance Dynamics of Perovskite LEDs. Advanced Optical Materials, 2101560 (Q1).

Photoionization of negatively charged NV centers in diamond: Theory and ab initio calculations

Razinkovas, L., Maciaszek, M., Reinhard, F., Doherty, M. W., & Alkauskas, A. (2021). Photoionization of negatively charged NV centers in diamond: theory and ab initio calculations. arXiv preprint arXiv:2104.09144 (Q2,HPC).

Peculiarities of Phase Formation in Mn-Based Na SuperIonic Conductor (NaSICon) Systems: The Case of Na1+ 2 x Mn x Ti2–x (PO4) 3 (0.0≤ x≤ 1.5)

Snarskis, G., Pilipavičius, J., Gryaznov, D., Mikoliu̅naitė, L., & Vilčiauskas, L. (2021). Peculiarities of Phase Formation in Mn-Based Na SuperIonic Conductor (NaSICon) Systems: The Case of Na1+ 2 x Mn x Ti2–x (PO4) 3 (0.0≤ x≤ 1.5). Chemistry of Materials, 33(21), 8394-8403 (Q1,HPC).

Insights into the hydrogen bond network topology of phosphoric acid and water systems

Mikalčiūtė, A., & Vilčiauskas, L. (2021). Insights into the hydrogen bond network topology of phosphoric acid and water systems. Physical Chemistry Chemical Physics, 23(10), 6213-6224 (Q1,HPC).

Hybrid density functional theoretical study of NASICON-type NaxTi2(PO4)(3) (x=1-4)

Gryaznov, D., Stauffer, S. K., Kotomin, E. A., & Vilčiauskas, L. (2020). Hybrid density functional theoretical study of NASICON-type Na x Ti 2 (PO 4) 3 (x= 1–4). Physical Chemistry Chemical Physics, 22(21), 11861-11870 (Q1,HPC)

Regularized regression when covariates are linked on a network: the 3CoSE algorithm

Weber, M., Striaukas, J., Schumacher, M., & Binder, H. (2021). Regularized regression when covariates are linked on a network: the 3CoSE algorithm. Journal of Applied Statistics, 1-20 (Q3,HPC).

Conformational diversity of 1-chloro-1-chloromethylsilacyclohexane with experimental (Raman and IR) and computational (DFT, MP2) methods

Designing a Red-Emitting Viscosity Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging

Maleckaite, K., Dodonova, J., Toliautas, S., Zilenaite, R., Jurgutis, D., Karabanovas, V., … & Vysniauskas, A. (2021). Designing a Red‐Emitting Viscosity Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging. Chemistry–A European Journal (Q2, HPC).

Cut from the Same Cloth: Enamine-Derived Spirobifluorenes as Hole Transporters for Perovskite Solar Cells

Fluorene-based enamines as low-cost and dopantfree hole transporting materials for high performance and stable perovskite solar cells

Daskeviciute, S., Momblona, C., Rakstys, K., Sutanto, A. A., Daskeviciene, M., Jankauskas, V., …Gruodis,A. & Nazeeruddin, M. K. (2021). Fluorene-based enamines as low-cost and dopant-free hole transporting materials for high performance and stable perovskite solar cells. Journal of Materials Chemistry A, 9(1), 301-309.DOI 10.1039/d0ta08452b (Q1,HPC).