Li-Functionalized Carbon Nanotubes for Hydrogen Storage: Importance of Size Effects E Anikina, A Banerjee, V Beskachko, R Ahuja ACS Applied Nano Materials 2 (5), 3021-3030, 2019 | 49 | 2019 |
Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature E Anikina, A Banerjee, V Beskachko, R Ahuja Sustainable Energy & Fuels 4 (2), 691-699, 2020 | 36 | 2020 |
High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes E Anikina, SR Naqvi, H Bae, H Lee, W Luo, R Ahuja, T Hussain International Journal of Hydrogen Energy 47 (19), 10654-10664, 2022 | 32 | 2022 |
Influence of Kubas-type interaction of B–Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency EV Anikina, A Banerjee, VP Beskachko, R Ahuja Materials Today Energy 16, 100421, 2020 | 29 | 2020 |
Elucidating hydrogen storage properties of two-dimensional siligraphene (SiC 8) monolayers upon selected metal decoration E Anikina, T Hussain, V Beskachko, R Ahuja Sustainable Energy & Fuels 4 (11), 5578-5587, 2020 | 27 | 2020 |
Tunning Hydrogen Storage Properties of Carbon Ene–Yne Nanosheets through Selected Foreign Metal Functionalization E Anikina, T Hussain, V Beskachko, H Bae, H Lee, R Ahuja The Journal of Physical Chemistry C 124 (31), 16827-16837, 2020 | 20 | 2020 |
Basis set superposition error: effects of atomic basis set optimization on value of counterpoise correction EV Anikina, VP Beskachko Вестник Южно-Уральского государственного университета. Серия: Математика …, 2020 | 14 | 2020 |
Ab initio modelling of a bilayer graphene MV Kaplun, EV Anikina, VP Beskachko Вестник Южно-Уральского государственного университета. Серия «Математика …, 2022 | 4 | 2022 |
Importance of atomic-like basis set optimization for DFT modelling of nanomaterials EV Anikina, IA Balyakin, VP Beskachko Вестник Южно-Уральского государственного университета. Серия: Математика …, 2019 | 2 | 2019 |
Ab initio studies of hydrogen physisorption on clear and Li-doped carbon nanotubes EV Anikina, VP Beskachko Вестник Южно-Уральского государственного университета. Серия: Математика …, 2017 | 2 | 2017 |
Tetraoxa [8] circulene Monolayer as Hydrogen Storage Material: Model with Boys–Bernardi Corrections Within Density Functional Theory EV Anikina, DV Babailova, MS Zhilin, VP Beskachko Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques …, 2024 | | 2024 |
Basis Set Superposition Error: Effects of the Boys‒Bernardi Correction on the DFT Modeling of Hydrogen Sorption on Low-Dimensional Carbon Nanomaterials KV Alantev, DV Babailova, MV Kaplun, EV Anikina, R Ahuja Bulletin of the Russian Academy of Sciences: Physics 87 (11), 1667-1674, 2023 | | 2023 |
EFFECTS OF BASIS SET SUPERPOSITION ERROR ON DFT MODEL OF C2N/GRAPHENE BILAYER DV Babailova, KV Alantev, MV Kaplun, EV Anikina, TY Nikonova Вестник Южно-Уральского государственного университета. Серия: Математика …, 2023 | | 2023 |