Publications
2024
Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2-x</sub>Ge<sub>x</sub>S<sub>7</sub>I.
Han, G., Daniels, L. M., Vasylenko, A., Morrison, K. A., Corti, L., Collins, C. M., . . . Rosseinsky, M. J. (2024). Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2-x</sub>Ge<sub>x</sub>S<sub>7</sub>I.. Angewandte Chemie (International ed. in English), 63(37), e202409372. doi:10.1002/anie.202409372
Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2–x</sub>Ge<sub>x</sub>S<sub>7</sub>I
Han, G., Daniels, L. M., Vasylenko, A., Morrison, K. A., Corti, L., Collins, C. M., . . . Rosseinsky, M. J. (2024). Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2–x</sub>Ge<sub>x</sub>S<sub>7</sub>I. Angewandte Chemie, 136(37). doi:10.1002/ange.202409372
Statistically derived proxy potentials accelerate geometry optimization of crystal structures.
Antypov, D., Collins, C. M., Vasylenko, A., Gusev, V., Gaultois, M. W., Darling, G. R., . . . Rosseinsky, M. J. (2024). Statistically derived proxy potentials accelerate geometry optimization of crystal structures.. Chemphyschem : a European journal of chemical physics and physical chemistry, e202400254. doi:10.1002/cphc.202400254
Superionic lithium transport via multiple coordination environments defined by two-anion packing
Han, G., Vasylenko, A., Daniels, L. M., Collins, C. M., Corti, L., Chen, R., . . . Rosseinsky, M. J. (2024). Superionic lithium transport via multiple coordination environments defined by two-anion packing. Science, 383(6684), 739-745. doi:10.1126/science.adh5115
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials.
Vasylenko, A., Asher, B. M., Collins, C. M., Gaultois, M. W., Darling, G. R., Dyer, M. S., & Rosseinsky, M. J. (2024). Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials.. The Journal of chemical physics, 160(5), 054110. doi:10.1063/5.0180818
2023
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties
Vasylenko, A., Antypov, D., Gusev, V. V., Gaultois, M. W., Dyer, M. S., & Rosseinsky, M. J. (2023). Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-023-01072-x
Statistically derived proxy potentials accelerate geometry optimisation of crystal structures
2022
A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning
Hargreaves, C. J. J., Gaultois, M. W. W., Daniels, L. M. M., Watts, E. J. J., Kurlin, V. A. A., Moran, M., . . . Dyer, M. S. S. (2023). A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-022-00951-z
High-entropy transition metal nitride thin films alloyed with Al Microstructure, phase composition and mechanical properties
Pshyk, A. V., Vasylenko, A., Bakhit, B., Hultman, L., Schweizer, P., Edwards, T. E. J., . . . Greczynski, G. (2022). High-entropy transition metal nitride thin films alloyed with Al Microstructure, phase composition and mechanical properties. MATERIALS & DESIGN, 219. doi:10.1016/j.matdes.2022.110798
До статистичного опису електродифузійних процесів електронної підсистеми напівобмеженого металу в узагальненій моделі “желе”
Костробій, П. П., Маркович, Б. М., Василенко, А. І., & Токарчук, М. В. (n.d.). До статистичного опису електродифузійних процесів електронної підсистеми напівобмеженого металу в узагальненій моделі “желе”. Ukrainian Journal of Physics, 56(2), 179. doi:10.15407/ujpe56.2.179
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties
2021
Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li<sub>4</sub>CuSbO<sub>5.5</sub>, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure
Perez, A. J., Vasylenko, A., Surta, T. W., Niu, H., Daniels, L. M., Hardwick, L. J., . . . Rosseinsky, M. J. (2021). Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li<sub>4</sub>CuSbO<sub>5.5</sub>, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure. INORGANIC CHEMISTRY, 60(24), 19022-19034. doi:10.1021/acs.inorgchem.1c02882
Li<sub>4.3</sub>AlS<sub>3.3</sub>Cl<sub>0.7</sub>: A Sulfide-Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity
Gamon, J., Dyer, M. S., Duff, B. B., Vasylenko, A., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Li<sub>4.3</sub>AlS<sub>3.3</sub>Cl<sub>0.7</sub>: A Sulfide-Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity. CHEMISTRY OF MATERIALS, 33(22), 8733-8744. doi:10.1021/acs.chemmater.1c02751
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability
Han, G., Vasylenko, A., Neale, A. R., Duff, B. B., Chen, R., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(43), 18216-18232. doi:10.1021/jacs.1c07874
Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
Vasylenko, A., Gamon, J., Duff, B. B., Gusev, V. V., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry. NATURE COMMUNICATIONS, 12(1). doi:10.1038/s41467-021-25343-7
Linear and Helical Cesium Iodide Atomic Chains in Ultranarrow Single-Walled Carbon Nanotubes: Impact on Optical Properties
Kashtiban, R. J., Burdanova, M. G., Vasylenko, A., Wynn, J., Medeiros, P. V. C., Ramasse, Q., . . . Sloan, J. (2021). Linear and Helical Cesium Iodide Atomic Chains in Ultranarrow Single-Walled Carbon Nanotubes: Impact on Optical Properties. ACS NANO, 15(8), 13389-13398. doi:10.1021/acsnano.1c03705
2018
Electronic Structure Control of Sub-nanometer 1D SnTe <i>via</i> Nanostructuring within Single-Walled Carbon Nanotubes
Vasylenko, A., Marks, S., Wynn, J. M., Medeiros, P. V. C., Ramasse, Q. M., Morris, A. J., . . . Quigley, D. (2018). Electronic Structure Control of Sub-nanometer 1D SnTe <i>via</i> Nanostructuring within Single-Walled Carbon Nanotubes. ACS NANO, 12(6), 6023-6031. doi:10.1021/acsnano.8b02261
2017
Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches
Wynn, J. M., Medeiros, P. V. C., Vasylenko, A., Sloan, J., Quigley, D., & Morris, A. J. (2017). Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches. PHYSICAL REVIEW MATERIALS, 1(7). doi:10.1103/PhysRevMaterials.1.073001
Tailoring of the electronic properties of ZnO-polyacrylonitrile nanofibers: Experiment and theory
Iatsunskyi, I., Vasylenko, A., Viter, R., Kempinski, M., Nowaczyk, G., Jurga, S., & Bechelany, M. (2017). Tailoring of the electronic properties of ZnO-polyacrylonitrile nanofibers: Experiment and theory. APPLIED SURFACE SCIENCE, 411, 494-501. doi:10.1016/j.apsusc.2017.03.111
Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes
Medeiros, P. V. C., Marks, S., Wynn, J. M., Vasylenko, A., Ramasse, Q. M., Quigley, D., . . . Morris, A. J. (2017). Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes. ACS NANO, 11(6), 6178-6185. doi:10.1021/acsnano.7b02225
2016
Encapsulated nanowires: Boosting electronic transport in carbon nanotubes
Vasylenko, A., Wynn, J., Medeiros, P. V. C., Morris, A. J., Sloan, J., & Quigley, D. (2017). Encapsulated nanowires: Boosting electronic transport in carbon nanotubes. PHYSICAL REVIEW B, 95(12). doi:10.1103/PhysRevB.95.121408
2015
Effect of a Vacancy in Single-Walled Carbon Nanotubes on He and NO Adsorption
Vasylenko, A. I., Tokarchuk, M. V., & Jurga, S. (2015). Effect of a Vacancy in Single-Walled Carbon Nanotubes on He and NO Adsorption. JOURNAL OF PHYSICAL CHEMISTRY C, 119(9), 5113-5116. doi:10.1021/jp511532j
2014
Nonequilibrium transport equations and ab initio study of adsorption processes on carbon nanotubes
Vasylenko, A. I., Tokarchuk, M. V., & Jurga, S. (2014). Nonequilibrium transport equations and ab initio study of adsorption processes on carbon nanotubes. Retrieved from http://dx.doi.org/10.13140/2.1.5175.1369
Experimental and theoretical studies on the mechanism for chemical oxidation of multiwalled carbon nanotubes
Maciejewska, B. M., Jasiurkowska-Delaporte, M., Vasylenko, A. I., Koziol, K. K., & Jurga, S. (2014). Experimental and theoretical studies on the mechanism for chemical oxidation of multiwalled carbon nanotubes. RSC ADVANCES, 4(55), 28826-28831. doi:10.1039/c4ra03881a
2012
Statistical description of hydrodynamic processes in ionic melts while taking into account polarization effects.
Markiv, B., Vasylenko, A., & Tokarchuk, M. (2012). Statistical description of hydrodynamic processes in ionic melts while taking into account polarization effects.. The Journal of chemical physics, 136(23), 234502. doi:10.1063/1.4729252
Viscoelastic description of electron subsystem of a semi-bounded metal within generalized "jellium" model
Kostrobij, P. P., Markovych, B. M., Vasylenko, A. I., & Tokarchuk, M. V. (2012). Viscoelastic description of electron subsystem of a semi-bounded metal within generalized "jellium" model. 2011, 14(4), 1-16. Retrieved from http://dx.doi.org/10.5488/CMP.14.43001
2011
Statistical description of electrodiffusion processes in the electron subsystem of a semibounded metal within the generalized jellium model
Kostrobij, P. P., Markovych, B. M., Vasylenko, A. I., & Tokarchuk, M. V. (2011). Statistical description of electrodiffusion processes in the electron subsystem of a semibounded metal within the generalized jellium model. Ukrainian Journal of Physics, 54(1), 207-215. Retrieved from http://arxiv.org/abs/1103.2678v1
Statistical description of electrodiffusion processes in the electron subsystem of a semibounded metal within the generalized "jellium" model
Kostrobij, P. P., Markovych, B. M., Vasylenko, A. I., & Tokarchuk, M. V. (2011). Statistical description of electrodiffusion processes in the electron subsystem of a semibounded metal within the generalized "jellium" model. Ukrainian Journal of Physics, 56(2), 179-191.
2006
Nonequilibrium statistical Zubarev's operator and Green's functions for an inhomogeneous electron gas
Kostrobii., Markovych., Vasylenko., Tokarchuk., & Rudavskii. (2006). Nonequilibrium statistical Zubarev's operator and Green's functions for an inhomogeneous electron gas. Condensed Matter Physics, 9(3), 519. doi:10.5488/cmp.9.3.519