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Theoretical study of atomic and electronic struc?ture of magnesium diboride single-wall nanotubes [Text] / P. B. Sorokin, L. A. Chernozatonskii, B. I. Yakobson // 23rd International Winterschool on: Electronic Properties of Novel Materials: "Molecular nanostructures" : Kirchberg/Tirol, Austria, 7 – 14 March 2009. - P155

Доп.точки доступа:
Sorokin, P. B.; Chernozatonskii, L. A.; Yakobson, B. I.; International Winterschool on Electronic Properties of Novel Materials(23 ; 2009 ; Mar ; Kirchberg, Austria)
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    Enrichment of a fullerene mixture with endohedral metallofullerenes: methodology and evaluation / N. G. Vnukova, N. S. Nikolaev, L. S. Bartseva [et al.] // Fuller. Nanotub. Carbon Nanostructures. - 2024. - Vol. 32, Is. 9. - P. 846-850, DOI 10.1080/1536383X.2024.2338524. - Cited References: 46 . - ISSN 1536-383X. - ISSN 1536-4046
   Перевод заглавия: Обогащение фуллереновой смеси эндоэдральными металлофуллеренами: методология и оценка
Кл.слова (ненормированные):
endohedral metallofullerene -- enrichment -- Lewis acids -- high performance liquid chromatography -- numerical integration of the spectra
Аннотация: A fullerene mixture was enriched with endohedral metallofullerenes (EMF) using Lewis acid (TiCl4), which took 22 min, whereas the standard method requires about 8 h. An algorithm for assessing small-area chromatographic peaks has been proposed, which has improved the accuracy of determination. For example, the area of the C84 peak was 4.24% using the developed program, while the use of chromatograph software estimated the area of this peak to be 1.78%.

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Держатели документа:
Kirensky Institute of Physics, FSBSI "Federal Research Center "Krasnoyarsk Science Center SB RAS", Krasnoyarsk, Russia
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, Russia
Institute of Non-Ferrous Metals Department of Organic and Analytical Chemistry, Siberian Federal University, Krasnoyarsk, Russia

Доп.точки доступа:
Vnukova, N. G.; Внукова, Наталья Григорьевна; Nikolaev, N. S.; Николаев, Никита Сергеевич; Bartseva, L. S.; Барцева, Любовь Сергеевна; Kastiuk, M. R.; Кастюк, Мария Романовна; Elesina, V. I.; Елесина, Виктория Игоревна; Isakova, V. G.; Исакова, Виктория Гавриловна; Churilov, G. N.; Чурилов, Григорий Николаевич
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Cyclic voltammetry as an activation method of TiO2 nanotube arrays for improvement of photoelectrochemical water splitting performance / N. A. Zos’ko, A. S. Aleksandrovsky, T. Kenova [et al.] // ChemPhotoChem. - 2023. - Vol. 7, Is. 9. - Ст. e202300100, DOI 10.1002/cptc.202300100. - Cited References: 36. - The authors express their gratitude to A. M. Zhizhaev for the microscopy and XRD analysis and V. F. Shabanov for the fruitful discussion. - This work was conducted within the framework of the budget project FWES-2021-0023 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS . - ISSN 2367-0932
Кл.слова (ненормированные):
cyclic voltammetry -- electrochemical anodization -- photoelectrochemical activity -- TiO2 nanotubes -- water splitting
Аннотация: A facile and eco-friendly method for activating anodic TiO2 nanotubes (TNTs) by cyclic voltammetry (CV) is proposed, and photoelectrochemical properties of CV-activated TNTs are compared with those of non-activated TNTs and of TNTs activated by hydrogen-thermal reduction. EPR and luminescence studies show that the pristine samples demonstrate rather large content of paramagnetic and luminescing defects, while hydrogenation and CV-activation lead to the different type of rearrangement of defects. TNTs activated by CV-Na2SO4 demonstrate significantly improved photocurrent density (2.25 mA cm-2) in comparison with that of the hydrogen treated and pristine ones (0.93 mA cm-2 and 0.31 mA cm-2) under NUV-irradiation at 0.2 V (RHE). Enhanced photoactivity of Na2SO4-activated TNTs correlates with higher luminescence quantum yield, lowest paramagnetic defects content and larger decay time of the luminescence. Thus, a decrease in the content of defects is an important factor that reduces the non-radiative recombination of charge carriers. The activation-induced redistribution of surface and bulk defects in nanotubes explains the increased photoelectrochemical activity of TiO2-based anodes. Cyclic voltammetry has been proved to be a reliable method to increase the efficiency of TNTs in PEC water splitting.

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Держатели документа:
Laboratory of Catalytic Transformations of Renewable Resources Laboratory of Molecular Spectroscopy and Analysis Institute of Chemistry and Chemical Technology, SB RAS FRC «Krasnoyarsk Science Center SB RAS»,Krasnoyarsk, 660036 (Russia)
Laboratory of Coherent OpticsL.V. Kirensky Institute of Physics SB RAS FRC «Krasnoyarsk Science Center SB RAS»,Krasnoyarsk, 660036 (Russia)
Siberian Federal University, Krasnoyarsk, 660041 (Russia)

Доп.точки доступа:
Zos’ko, Nikolay A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Kenova, Tatyana; Gerasimova, Marina A.; Maksimov, Nikolay G.; Taran, Oxana P.
}
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    Mechanical activation of fullerene containing soot during extraction of higher and endohedral metallofullerenes / V. I. Elesina, G. N. Churilov, N. G. Vnukova [et al.] // Fuller. Nanotub. Carbon Nanostruct. - 2022. - Vol. 30, Is. 5. - P. 553-558, DOI 10.1080/1536383X.2021.1966421. - Cited References: 33 . - ISSN 1536-383X
   Перевод заглавия: Механоактивация фуллеренсодержащей сажи при экстракции высших и эндоэдральных металлофуллеренов
Кл.слова (ненормированные):
Fullerenes -- endohedral metallofullerenes -- extraction -- enrichment -- titanium chloride
Аннотация: For extraction of higher fullerenes and endohedral metallofullerenes (EMF) with yttrium from fullerene-containing carbon soot (soot) obtained by combined spraying of graphite and yttrium oxide powders in an arc plasma, we developed a device (Extractor*) that provides mechanical activation effects on agents combined with filtration. It has been shown that the soot recovery percentage of a mixture of higher fullerenes and EMF with different solvents (carbon disulfide, o-xylene, pyridine) and the EMF mass fraction in the mixture is significantly higher than in the extraction with a Soxhlet apparatus traditionally used for these purposes. The time spent on the extraction process is reduced significantly. Due to a known reaction with titanium chloride (TiCl4) and removal of a solution of empty fullerenes, subsequent bonding of EMF with yttrium into an insoluble complex directly in the extractor allows the product to be significantly enriched with EMF. In general, we were able to significantly reduce both the duration of extraction of the fullerenes mixture and EMF and the production of EMF separately.

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Держатели документа:
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics FRC KSC SB RAS, FSBSI "Federal Research Center "Krasnoyarsk Science Center SB RAS",, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Elesina, V. I.; Елесина, Виктория Игоревна; Churilov, G. N.; Чурилов, Григорий Николаевич; Vnukova, N. G.; Внукова, Наталья Григорьевна; Nikolaev, N. S.; Николаев, Никита Сергеевич; Glushenko, G. A.; Глущенко, Гарий Анатольевич; Isakova, V. G.; Исакова, Виктория Гавриловна
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Metal dusting as a key route to produce functionalized carbon nanofibers / A. R. Potylitsyna, I. V. Mishakov, Y. I. Bauman [et al.] // React. Kinet. Mech. Catal. - 2022. - Vol. 135, Is. 3. - P. 1387-1404, DOI 10.1007/s11144-022-02169-y. - Cited References: 65. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation (Project numbers AAAA-A21-121011390054-1 (ID: 0239-2021-0010) and 121031700315-2) . - ISSN 1878-5190. - ISSN 1878-5204

РУБ Chemistry, Physical
Рубрики:
CHLORINATED HYDROCARBONS
   NI-CU
   DECOMPOSITION
   NANOTUBES
   CATALYST
Кл.слова (ненормированные):
Metal dusting -- Ternary nickel-molybdenum-tungsten alloy -- Trichloroethylene -- Acetonitrile -- Functionalized carbon nanofibers
Аннотация: The present paper reports a new method of producing N-doped carbon nanofibers via metal dusting of a ternary NiMoW alloy in the atmosphere containing C2HCl3 and CH3CN vapors at 600 °C. The initial alloy was prepared by a co-precipitation technique. The carbon deposition was monitored gravimetrically. The early stages of the metal dusting process were studied in detail using scanning and transmission electron microscopies. It was established that the rapid disintegration of the microdispersed NiMoW alloy with the formation of nanosized particles catalyzing the growth of carbon filaments occurs within the first 5 min of the reaction. The presence of C2HCl3 vapors in the reaction medium was shown to be the urgent condition to provide efficient metal dusting. The effect of the CH3CN concentration in the trichloroethylene-containing reaction mixture on the carbon deposition is investigated. As observed, the CH3CN content noticeable affects the carbon yield (after 2 h of reaction). The dome-shaped dependence of carbon yield reaches its maximal value of ~ 200 g/g(cat) at a CH3CN concentration of 33 vol%. According to X-ray photoelectron spectroscopy, the obtained carbon filaments are functionalized with Cl (0.1–1.2 wt%), O (3–6 wt%), and N (0.5–1.3 wt%). The prepared carbon filaments possess a segmented secondary structure, which is typical for carbon nanomaterials derived via catalytic decomposition of chlorine-substituted hydrocarbons. Low-temperature nitrogen adsorption measurement revealed that the specific surface area of the N-containing samples varies in a range from 370 to 550 m2/g.

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Держатели документа:
Boreskov Inst Catalysis, Pr Ac Lavrentieva 5, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Str Pirogova 2, Novosibirsk 630090, Russia.
Nikolaev Inst Inorgan Chem, Ac Lavrentieva 3, Novosibirsk 630090, Russia.
Kirensky Inst Phys, Akad Gorodok 50-38, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Potylitsyna, A. R.; Mishakov, I. V.; Bauman, Y. I.; Kibis, L. S.; Shubin, Y. V.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Melgunov, M. S.; Vedyagin, A. A.; Ministry of Science and Higher Education of the Russian Federation [AAAA-A21-121011390054-1, 0239-2021-0010, 121031700315-2]
}
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    Phthalocyanine-carbon nanotube hybrid materials: Mechanism of sensor response to ammonia from quantum-chemical point of view / P. Krasnov, V. Ivanova, D. Klyamer [et al.] // Chemosensors. - 2022. - Vol. 10, Is. 11. - Ст. 479, DOI 10.3390/chemosensors10110479. - Cited References: 64. - Studies of periodic hybrid materials were performed under the financial support of the Russian Science Foundation (grant 20-12-00175). Studies of the interaction parameters of ammonia molecules with phthalocyanines were carried out under the financial support of the Ministry of Science and Higher Education of the Russian Federation (N 121031700314-5) . - ISSN 2227-9040
   Перевод заглавия: Гибридные материалы фталоцианин-углеродные нанотрубки: механизм сенсорного отклика на аммиак с квантово-химической точки зрения
Кл.слова (ненормированные):
metal phthalocyanine -- carbon nanotubes -- quantum-chemical calculations -- ammonia sensors
Аннотация: Quantum chemical calculations of the geometric and electronic structure of periodic hybrid compounds representing carbon nanotubes (10,0) with zinc phthalocyanine molecules ZnPc-xpy (x = 0, 1, 2, 4) on their surface and their interaction with ammonia were carried out to explain the dependence of the sensor response of the hybrid materials to ammonia on the number of substituents in the ZnPc-xpy macrocycle and to clarify the nature of the interaction between ammonia and phthalocyanine molecules. It was found that the key feature of these materials, which determines their sensor response toward ammonia, is the presence of an impurity band in the band gap of a carbon nanotube, formed by the orbitals of macrocycle atoms. When ammonia adsorbs through the formation of hydrogen bonds with the side atoms of phthalocyanine, the energy of this impurity band decreases. As a consequence, the electron population of the conduction band and, accordingly, the electrical conductivity of the hybrid materials become lower. Moreover, with an increase in the number of oxypyrene substituents in ZnPc-xpy, the interaction energy of ammonia increases and, as a result, the decrease in the energy of the impurity band becomes higher. These facts may explain recent experimental measurements of the parameters of the sensor response of similar hybrid materials to ammonia, where, in particular, it was shown that the sensor response is reversible, and its value increases with an increase in the number of oxypyrene substituents in the phthalocyanine macrocycle.

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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, 26 Kirensky St., 660074 Krasnoyarsk, Russia
Nikolaev Institute of Inorganic Chemistry Siberian Branch of the Russian Academy of Sciences SB RAS, 3 Lavrentiev Ave., 630090 Novosibirsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50/38 Akademgorodok, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Krasnov, P. O.; Ivanova, V.; Klyamer, D. D.; Fedorov, A. S.; Федоров, Александр Семенович; Basova, T. V.
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Co/multi-walled carbon nanotubes/polyethylene composites for microwave absorption: Tuning the effectiveness of electromagnetic shielding by varying the components ratio / M. A. Kazakova, N. V. Semikolenova, E. Y. Korovin [et al.] // Compos. Sci. Technol. - 2021. - Vol. 207. - Ст. 108731, DOI 10.1016/j.compscitech.2021.108731. - Cited References: 45. - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the state assignment for Boreskov Institute of Catalysis (project # АААА-А21-121011390054-1) . - ISSN 0266-3538
Кл.слова (ненормированные):
Polymer composites -- Multi-walled carbon nanotubes -- Co nanoparticles -- Hybrid structures -- Electromagnetic interference shielding
Аннотация: We present novel polyethylene (PE) composites for electromagnetic interference (EMI) shielding application. They are based on cobalt modified multi-walled carbon nanotubes (MWCNTs) produced via in situ polymerization of ethylene, with the Ti-Ziegler–Natta catalyst preliminarily immobilized on Co/MWCNT hybrids. The electromagnetic properties of the composites were tuned by varying the filler loading and Co:MWCNT ratio. The microstructure of the composites and electromagnetic absorption process were carefully characterized by transmission and scanning electron microscopy, X-ray diffraction, vibrating sample magnetometry, ferromagnetic resonance and vector network analysis. The electromagnetic wave absorbing properties of the nanocomposite were investigated in the 10 MHz−18 GHz frequency range revealing that the EMI absorption properties can be tuned by varying the Co:MWCNT weight ratio in the filler. Interestingly, the Co/MWCNT-PE composite with a total filler and Co loading of only 12 and 1.7 wt%, respectively, showed extremely high reflection loss (RL) of −55 dB. More importantly, an effective bandwidth of 12.8–17.8 GHz (RL below −10 dB) was achieved for a matching thickness of only 1.5 mm. The specific RL value (RL/filler loading) of the composite was superior in comparison with the previously reported nanostructured carbon materials. The highly effective absorbing properties of Co/MWCNT-PE composites are explained primarily by the unprecedented uniform filler distribution in the polyethylene as well as by the synergistic effect of MWCNTs and Co nanoparticles. This approach thus offered an effective strategy to design cost-effective, lightweight and flexible EMI shielding materials with tunable dielectric and magnetic performance.

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Держатели документа:
Boreskov Institute of Catalysis, SB RAS, Lavrentieva 5, Novosibirsk, 630090, Russian Federation
National Research Tomsk State University, Lenin Ave. 36, Tomsk, 634050, Russian Federation
Kirensky Institute of Physics, SB RAS, Akademgorodok St. 50, Krasnoyarsk, 660036, Russian Federation
TOTAL Research and Technology Feluy (TRTF), Zone Industrielle C, Feluy, 7181, Belgium
Soft Matter Science and Engineering (SIMM), UMR CNRS 7615, ESPCI Paris, Universite PSL, Sorbonne Universite, Paris, 75005, France

Доп.точки доступа:
Kazakova, M. A.; Semikolenova, N. V.; Korovin, E. Y.; Zhuravlev, V. A.; Selyutin, A. G.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Moseenkov, S. I.; Andreev, A. S.; Lapina, O. B.; Suslyaev, V. I.; Matsko, M. A.; Zakharov, V. A.; Lacaillerie, J. -B.D.D.
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    Simulation of fullerene formation in a carbon-helium plasma / P. V. Novikov, I. V. Osipova, G. N. Churilov, A. I. Dudnik // Fuller. Nanotub. Carbon Nanostruct. - 2021. - Vol. 29, Is. 5. - P. 337-342, DOI 10.1080/1536383X.2020.1842738. - Cited References: 22 . - ISSN 1536-383X
   Перевод заглавия: Моделирование образования фуллерена в углеродно-гелиевой плазме
Кл.слова (ненормированные):
Fullerene formation -- kinetic model -- carbon clusters -- Kinetic modeling -- Fullerenes
Аннотация: A kinetic model of fullerene formation in the carbon-helium plasma of an arc discharge was proposed. In the model, in addition to the coagulation of carbon clusters, the cluster isomerization and their cooling with a buffer gas were taken into account. The simulation results of the fullerene formation are in qualitatively agreement with the experimental data, i.e., the fraction of higher fullerenes increases at high pressures in the fullerene mixture.

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Держатели документа:
Krasnoyarsk Institute of Railway Transport, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Novikov, P. V.; Osipova, I. V.; Осипова, Ирина Владимировна; Churilov, G. N.; Чурилов, Григорий Николаевич; Dudnik, A. I.; Дудник, Александр Иванович
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    Growth of carbon nanotubes inside porous anodic alumina membranes: Simulation and experiment / I. I. Ryzhkov, I. A. Kharchenko, E. V. Mikhlina [et al.] // Int. J. Heat Mass Transf. - 2021. - Vol. 176. - Ст. 121414, DOI 10.1016/j.ijheatmasstransfer.2021.121414. - Cited References: 57. - This work is supported by the Russian Foundation for Basic Research, Project 18-29-19078 . - ISSN 0017-9310
   Перевод заглавия: Рост углеродных нанотрубок внутри пористых анодных мембран из оксида алюминия: моделирование и эксперимент
Кл.слова (ненормированные):
Porous anodic alumina -- Ethanol pyrolysis -- Chemical vapour deposition -- Carbon nanotubes -- Mathematical modelling
Аннотация: Porous anodic alumina (PAA) membranes represent a widely used and extensively studied template for production of carbon nanotubes (CNT). The PAA–CNT membranes possess a number of unique properties, such as controllable nanotube geometry, size– and chemically–based selectivity as well as high water permeability. In this work, we first propose a combination of gas phase and surface reaction models to quantitatively describe the growth of carbon nanotubes in PAA membranes in a commercial CVD reactor. A complimentary experimental study of CNT formation from ethanol precursor with argon as a carrier gas is performed. A new method for characterizing carbon nanotubes geometry by SEM and TEM image processing of membrane cross–sections is proposed. The simulations show that the carbon growth rate (in nm/min) averaged over the membrane remains constant during the deposition process until the pore diameter becomes relatively small, and rapidly falls to zero after that. The carbon nanotube thickness near the membrane surface is slightly higher than that in the membrane center. The carbon growth rate increases with synthesis temperature and pressure, while it decreases with the argon flow rate. The dependence of carbon growth rate on the ethanol/water flow rate reaches maximum at some intermediate value. These results are supported by the experimental data obtained from SEM/TEM image processing. It is found that the SEM data provide overestimated values of nanotube diameter and thickness in comparison with the TEM data. The obtained results provide new insights into the CNT growth kinetics in nanoporous media, and develop quantitative guidelines for synthesis of CNT–PAA membranes with precisely controlled nanopore geometry. It also validates the combined homogenous / heterogeneous reaction model by comparison with carbon deposition kinetics on a nanometer scale.

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Держатели документа:
Institute of Computational Modelling SB RAS Akademgorodok 50–44, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny 79, Krasnoyarsk, 660041, Russian Federation
Federal Research Center KSC SB RAS, Akademgorodok 50–38, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, 660037, Russian Federation

Доп.точки доступа:
Ryzhkov, I. I.; Kharchenko, I. A.; Mikhlina, E. V.; Minakov, A. V.; Guzei, D. V.; Nemtsev, I. V.; Немцев, Иван Васильевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Korobko, A. V.; Simunin, M. M.
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10.

    Синтез и фотоэлектрокаталитическая активность анодных наноструктурированных TiO2 пленок / Н. А. Зосько, Т. А. Кенова, А. С. Александровский [и др.] // Журн. СФУ. Химия. - 2021. - Т. 14, № 3. - С. 396-405 ; J. Sib. Fed. Univ. Chem., DOI 10.17516/1998-2836-0249. - Библиогр.: 25. - Работа выполнена в рамках государственного задания ФИЦ КНЦ СО РАН (проект 0287-2021-0023) с использованием оборудования Красноярского регионального центра коллективного пользования ФИЦ КНЦ СО РАН. Авторы выражают признательность Н. Г. Максимову за снятие диффузных спектров отражения и В. Ф. Шабанову за плодотворную дискуссию . - ISSN 1998-2836. - ISSN 2313-6049
   Перевод заглавия: Synthesis and Photoelectrocatalytic Activity of Anodic Nanostructured TiO2 Films
Кл.слова (ненормированные):
фотоэлектрокаталитическая активность -- TiO2 нанотрубки -- анодное окисление -- морфология поверхности -- катодное осаждение -- Cu2O -- photoelectrocatalytic activity -- TiO2 nanotubes -- anodic oxidation -- structure morphology -- electrodeposition -- Cu2O
Аннотация: Методом электрохимического окисления получены наноструктурированные пленки диоксида титана, исследовано влияние напряжения анодирования на морфологию поверхности, оптические и фотоэлектрокаталитические характеристики полученных нанотрубок. Показано, что напряжение анодирования оказывает существенное влияние на структуру нанопленок и, соответственно, на их фотоэлектрокаталитическую активность. Методом катодного осаждения Cu2O на анодированный TiO2 получен фотоанод с гетеропереходом. Установлено, что фотоэлектроактивность такого анода при потенциале 1В (отн. Ag/AgCl/3,5MKCl) на 15% выше, чем активность исходной наноструктурированной TiO2 пленки.
Nanostructured titanium dioxide films were prepared by electrochemical oxidation technique, anodization voltage effect on structure morphology, optical and photoelectrocatalytic performances of the nanotubes were studied. The anodization voltage is shown to significantly affect structure of nanofilms and, accordingly, their photoelectrocatalytic activity. An active heterojunction photoanode was synthesised with electrode position of Cu2O onanodized TiO2. The anode photoelectroact ivity under bias 1V (Ag/AgCl/3,5M KCl) is found to be 15 % higher than that of the original nanostructured TiO2 film.

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Держатели документа:
Институт химии и химической технологии ФИЦ КНЦ СО РАН, Российская Федерация, Красноярск
Институт физики им. Л. В. Киренского ФИЦ КНЦ СО РАН, Российская Федерация, Красноярск
Сибирский федеральный университет, Российская Федерация, Красноярск

Доп.точки доступа:
Зосько, Н. А.; Кенова, Т. А.; Александровский, Александр Сергеевич; Aleksandrovsky, A. S.; Жижаев, А. М.; Таран, О. П.; [02872021-0023]

}
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