PUB20230113 13 January 2023 
Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations.

Natalya A. Kabanova, Yelizaveta A. Morkhova, Alexander V. Antonyuk, Eugeny I. Frolov Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations. Solid State Ionics, 2023, 391, 116142. doi: 10.1016/j.ssi.2022.116142 IF 3.699

 
152 page minimum spine. Editor: Matt Hotze, JEM: Esther
RTP:  Diane Murphy 28 December 2022 
Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment.

Yelizaveta A. Morkhova, Mariia S. Koroleva, Anastasia V. Egorova, Andrey A. Pimenov, Aleksei G. Krasnov, Boris A. Makeev, Vladislav A. Blatov, and Artem A. Kabanov Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment. The Journal of Physical Chemistry C, 2023, 127 (1), 52–58. doi: 10.1021/acs.jpcc.2c06631 IF 4.177

 
PUB20220602 2 June 2022 
Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations.

Ekaterina I. Orlova, Yelizaveta A. Morkhova, Anastasia V. Egorova, Elena P. Kharitonova, Nikolay V. Lyskov, Valentina I. Voronkova, Artem A. Kabanov, Alexey A. Veligzhanin, and Natalia A. Kabanova Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations. The Journal of Physical Chemistry C, 2022, 126 (23), 9623–9633. doi: 10.1021/acs.jpcc.2c01837 IF 4.126

 
PUB20220215 15 February 2022 
Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides.

D. Semykina, Y. A. Morkhova, A. A. Kabanov, K. Mishchenko, A. Slobodyuk, M. Kirsanova, O. A. Podgornova, A. Shindrov, K. Okhotnikov and N. V. Kosova Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides. Physical Chemistry Chemical Physics, 2022, 24 (10), 5823–5832. doi: 10.1039/D1CP04993C IF 3.676

 
PUB20220125_2 25 January 2022 
Computational design of materials for metal-ion batteries.

Artem A. Kabanov, Yelizaveta A. Morkhova, Iliya A. Bezuglov, Vladislav A. Blatov Computational design of materials for metal-ion batteries. In Comprehensive Inorganic Chemistry III. Elsevier, 2023, 404–429. doi: 10.1016/B978-0-12-823144-9.00062-5

 
PUB20211030 30 October 2021 
Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment.

A. V. Egorova, Ye. A. Morkhova, A. A. Kabanov, K. G. Belova, I. E. Animitsa, V. A. Blatov, A. A. Pimenov, D. V. Korona Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment. Solid State Ionics, 2021, 115790. doi: 10.1016/j.ssi.2021.115790 IF 3.785

 
PUB20210806 6 August 2021 
Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study.

Yelizaveta A. Morkhova, Manuel Rothenberger, Tilmann Leisegang, Stefan Adams, Vladislav A. Blatov, and Artem A. Kabanov Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study. The Journal of Physical Chemistry C, 2021, 125 (32), 17590–17599. doi: 10.1021/acs.jpcc.1c02984 IF 4.126

 
20191001-03 23 September 2019 
Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations.

E. A. Morkhova, A. A. Kabanov, V. A. Blatov Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations. Russian Journal of Electrochemistry, 2019, 55 (8), 762–777. doi: 10.1134/S102319351908010X IF 1.043

 
20181217-03 20 October 2018 
High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches.

R.A.Eremin, N.A.Kabanova, Ye.A.Morkhova, A.A.Golov, V.A.Blatov High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches. Solid State Ionics, 2018, 326, 188-199. doi: 10.1016/j.ssi.2018.10.009 IF 2.751