Zobrazeno 1 - 10
of 17
pro vyhledávání: '"V. S. Baturin"'
Publikováno v:
Nanoscale. 13:19181-19189
Silicon nanocrystals (NCs) have great potential for applications in optoelectronics, photovoltaics and biomedicine. The photo-physical characteristics of these particles strongly depend on whether they are crystalline or amorphous. This structural or
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b1b50acb5c93fc89d85d42b37b09e347
https://doi.org/10.1039/d1nr05653k
https://doi.org/10.1039/d1nr05653k
Publikováno v:
Physical chemistry chemical physics. 2021. Vol. 23, № 27. P. 14889-14897
Pd–Bi nanoparticles show high efficiency in catalyzing gluconic acid production by the glucose oxidation reaction. Although this type of catalyst was studied for some time, the correlation between bismuth content and catalytic activity is still unc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c84a655dd66328d85b7957bf520fccb0
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000895390
https://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000895390
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(45)
Constructing trap-free nanomaterials is a challenge that requires a fundamental understanding of the trapping phenomenon, especially the structural features responsible for electronic localization. Previously, such trapping configurations were explor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4250b3d98308c51bf8f185e1c9d3d4c
https://pubmed.ncbi.nlm.nih.gov/33175940
https://pubmed.ncbi.nlm.nih.gov/33175940
Publikováno v:
Journal of Magnetism and Magnetic Materials. 459:272-275
The calculations of spin effects in 20 Si n O 2 n + m nanoclusters with 10 ⩾ m ⩾ 5 and m ⩾ 1 are presented. They include search for the equilibrium atomic structure, the calculations of electron spectra and the energy of different spin ordering
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be22c994629f3ac106a784c81bd0a164
https://doi.org/10.1016/j.jmmm.2017.10.073
https://doi.org/10.1016/j.jmmm.2017.10.073
Autor:
Oleg D. Feya, N L Matsko, S. V. Lepeshkin, Anastasia S. Naumova, Martin A.A. Schoonen, E. V. Tikhonov, V. S. Baturin, Artem R. Oganov, Yurii Uspenskii
Publikováno v:
Nanoscale. 8:18616-18620
Oxidation of silicon nanoclusters depending on the temperature and oxygen pressure is explored from first principles using the evolutionary algorithm, and structural and thermodynamic analysis. From our calculations of 90 SinOm clusters we found that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12f2ab9574cb42f12c174b27d296c15c
https://doi.org/10.1039/c6nr07504e
https://doi.org/10.1039/c6nr07504e
Autor:
Artem R. Oganov, V. S. Baturin, Sergey V. Lepeshkin, Qinggao Wang, Yurii Uspenskii, Oleg D. Feya
Publikováno v:
Scientific Reports
Scientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
Scientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
Crystalline silica (SiO2) is a major material used in many technologies, yet the exact surface structures of silica polymorphs are still mostly unknown. Here we perform a comprehensive study of surface reconstructions of α-cristobalite (001), α-qua
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6e7485a32fa32838ca91c6e82ee5c27
https://pubmed.ncbi.nlm.nih.gov/30093648
https://pubmed.ncbi.nlm.nih.gov/30093648
Publikováno v:
Solid State Phenomena. :562-566
The total energy, geometry and electronic spectra of nanoclusters \shm{} ($m=0\ldots11$) are calculated using the evolutionary algorithm and density functional theory (DFT). It is shown, that the features of electron spectrum, namely HOMO-LUMO gap an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f617d2881cd702ffc512ece850ee697
https://doi.org/10.4028/www.scientific.net/ssp.233-234.562
https://doi.org/10.4028/www.scientific.net/ssp.233-234.562
Autor:
Gabriele Saleh, Zhenhai Wang, Vinit Sharma, Xiaohu Yu, Xiang-Feng Zhou, Qinggao Wang, V. S. Baturin, Alexander I. Boldyrev, Qiang Zhu, Artem R. Oganov, S. V. Lepeshkin, Ivan A. Popov
Publikováno v:
Handbook of Solid State Chemistry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::93ec456cdc84a39f5c7ab93955b126f2
https://doi.org/10.1002/9783527691036.hsscvol5018
https://doi.org/10.1002/9783527691036.hsscvol5018
Publikováno v:
physica status solidi c. 11:1048-1052
Ab initio study is reported on the electronic and magnetic properties of high-pressure-synthesized compounds M GaSb and M Ga2Sb2 (M = Mn, Cr). Based on comparison of obtained results, we discuss trends in the properties of these systems under change
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::877cdcb221721512dffe3453ed841383
https://doi.org/10.1002/pssc.201300702
https://doi.org/10.1002/pssc.201300702
Autor:
Yu. A. Uspenskii, N. L. Matsko, P. I. Arseev, O. V. Ivanov, V. S. Baturin, Alexey N. Rubtsov, Erkin Kulatov
Publikováno v:
Bulletin of the Lebedev Physics Institute. 40:132-135
An interpolation scheme is proposed for determination of the spectrum of silicon quantum dots 2 to 10 nm in diameter involving the bulk silicon spectrum and the results of our first-principle calculations of silicon clusters 0.7 to 1.5 nm in diameter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89724c70f95fc841aabe08fe6dce72a3
https://doi.org/10.3103/s1068335613050060
https://doi.org/10.3103/s1068335613050060