Quantum chemical modeling of the surface modification of an “armchair” carbon nanotube with cobalt oxide ; Квантово-химическое моделирование поверхностного модифицирования углеродной нанотрубки типа «кресло» оксидом кобальта

Συγγραφείς: A. R. El Zanin, S. V. Boroznin, А. Р. Эль Занин, С. В. Борознин

Συνεισφορές: The work was carried out within the framework of the state assignment of the Ministry of Science and Higher Education of the Russian Federation (“FZUU-2023-0001”)., Работа выполнена в рамках государственного задания Министерства науки и высшего образования РФ (тема “FZUU-2023-0001”).

Πηγή: Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering; Том 27, № 4 (2024); 317-323 ; Известия высших учебных заведений. Материалы электронной техники; Том 27, № 4 (2024); 317-323 ; 2413-6387 ; 1609-3577

Θεματικοί όροι: зарядовое распределение, cobalt oxide, adsorption, surface modification, density functional theory, band gap, charge distribution, оксид кобальта, адсорбция, поверхностное модифицирование, теория функционала плотности, ширина запрещенной зоны

Περιγραφή αρχείου: application/pdf

Relation: https://met.misis.ru/jour/article/view/637/467; Liu B., Wu F., Gui H., Zheng M., Zhou C. Chirality-controlled synthesis and applications of single-wall carbon nanotubes. ACS Nano. 2017; 11 (1); 31-53. https://doi.org/10.1021/acsnano.6b06900; Su W., Li X., Li L., Yang D., Wang F., Wei X., Zhou W., Kataura H., Xie S., Liu H. Chirality-dependent electrical transport properties of carbon nanotubes obtained by experimental measurement. Nature Communications. 2023; 14 (1); 1672. https://doi.org/10.1038/s41467-023-37443-7; Tang D. M., Cretu O., Ishihara S., Zheng Y., Otsuka K., Xiang R., Maruyama S., Cheng H. M., Liu C., Golberg D. Chirality engineering for carbon nanotube electronics. Nature Reviews Electrical Engineering. 2024; 1 (3); 149-162. https://doi.org/10.1038/s44287-023-00011-8; Riaz A., Alam A., Selvasundaram P. B., Dehm S., Hennrich F., Kappes M. M., Krupke R. Near‐Infrared Photoresponse of Waveguide‐Integrated Carbon Nanotube–Silicon Junctions. Advanced Electronic Materials. 2019; 5 (1); 1800265. https://doi.org/10.1002/aelm.201800265; Dubey R., Dutta D., Sarkar A., Chattopadhyay P. Functionalized carbon nanotubes: Synthesis, properties and applications in water purification, drug delivery, and material and biomedical sciences. Nanoscale Advances. 2021; 3 (20); 5722-5744. https://doi.org/10.1039/D1NA00293G; Salah L. S., Ouslimani N., Bousba D., Huynen I., Danlée Y., Aksas H. Carbon nanotubes (CNTs) from synthesis to functionalized (CNTs) using conventional and new chemical approaches. Journal of Nanomaterials. 2021; 2021 (1); 4972770. https://doi.org/10.1155/2021/4972770; Devi S., Suman, Chahal S., Singh S., Ankita, Kumar P., Kumar S., Kumar A., Kumar V. Magnetic Fe2O3/CNT nanocomposites: characterization and photocatalytic application towards the degradation of Rose Bengal dye. Ceramics International. 2023; 49 (12); 20071-20079. https://doi.org/10.1016/j.ceramint.2023.03.130; Akhter P., Ali F., Ali A., Hussain M. TiO2 decorated CNTs nanocomposite for efficient photocatalytic degradation of methylene blue. Diamond and Related Materials. 2024; 141; 110702. https://doi.org/10.1016/j.diamond.2023.110702; Tan C., Luo X., He H., He S., Ren R., Xiao Y., Fu Y., Huang S., Cai Y., Yang Y. Facile fabrication of carbon nanotubes/zinc oxide decorated poly (vinyl alcohol) electrospun nanofiber membrane and its photocatalytic performance. Journal of Applied Polymer Science. 2024; e56132. https://doi.org/10.1002/app.56132; Eswaramoorthy N., Rajendran S., Kumar B. A., Nallusamy S., Rengasamy M., Selvaraj Y., Sangaraju S., Krishnan T., Kumaresan G., Rajaram K. Influence of ZnO/MWCNTs based hybrid electrodes for boosting the performance of photovoltaic and supercapacitor devices. Materials Chemistry and Physics. 2024; 316; 129049. https://doi.org/10.1016/j.matchemphys.2024.129049; Mallakpour S., Khadem E. Carbon nanotube–metal oxide nanocomposites: Fabrication, properties and applications. Chemical Engineering Journal. 2016; 302; 344-367. https://doi.org/10.1016/j.cej.2016.05.038; Chinh N. D., Hung N. M., Majumder S., Kim C., Kim D. Hole-supply-rate-controlled methanol-gas-sensing reaction over p-type Co3O4/single-walled carbon nanotube hybrid structures. Sensors and Actuators B: Chemical. 2021; 326; 128956. https://doi.org/10.1016/j.snb.2020.128956; Hu Z., Fu Y., Hong Z., Huang Y., Guo W., Yang R., Xu J., Zhou L., Yin S. Composite structural batteries with Co3O4/CNT modified carbon fibers as anode: Computational insights on the interfacial behavior. Composites Science and Technology. 2021; 201; 108495. https://doi.org/10.1016/j.compscitech.2020.108495; Han Y., Wang Q., Zheng Q., Cao M., Yuan J., Li L. Ternary WSe2@ CNTs/Co3O4 nanocomposites for highly efficient multi-band microwave absorption. Materials Letters. 2022; 325; 132837. https://doi.org/10.1016/j.matlet.2022.132837; Neugebauer J., Hickel T. Density functional theory in materials science. Wiley Interdisciplinary Reviews: Computational Molecular Science. 2013; 3(5); 438-448. https://doi.org/10.1002/wcms.1125; Davidson E. R., Clark A. E. A viewpoint on population analyses. International journal of quantum chemistry. 2022; 122 (8); e26860. https://doi.org/10.1002/qua.26860; https://met.misis.ru/jour/article/view/637

Διαθεσιμότητα: https://met.misis.ru/jour/article/view/637
https://doi.org/10.17073/1609-3577j.met202411.637

ТЕОРЕТИЧЕСКОЕ ИССЛЕДОВАНИЕ АДСОРБЦИИ ЛИТИЯ НА ПОВЕРХНОСТИ BCN-НАНОТРУБКИ

Θεματικοί όροι: ширина запрещенной зоны, lithium atom adsorption, band gap, BCN-нанотрубкa, литий-ионные аккумуляторы, BCN-nanotube, lithium-ion batteries, адсорбция атома лития, зарядовое распределение, charge distribution

Учет парных эффектов при аналитическом представлении изобарного зарядового распределения продуктов деления ²³⁵U тепловыми нейтронами

Συγγραφείς: Бялко, А.А., Живун, В.М., Коваленко, В.В., Колдобский, А.Б.

Θεματικοί όροι: парные эффекты, изобарное зарядовое распределение продуктов деления²³⁵U тепловыми нейтронами

Περιγραφή αρχείου: application/pdf

Relation: http://elib.gsu.by/jspui/handle/123456789/20316; 539.173.8

Διαθεσιμότητα: http://elib.gsu.by/jspui/handle/123456789/20316