Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Yurii, Uspenskii"'
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:
Nanoscale. 13(45)
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=pmid________::4b4517b3a6656e38f206c809ead61539
https://pubmed.ncbi.nlm.nih.gov/34782894
https://pubmed.ncbi.nlm.nih.gov/34782894
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
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
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
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
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:
Evgenii G. Maksimov, M. V. Magnitskaya, Yurii Uspenskii, Andrey Titov, Svetlana Popova, Vadim V. Brazhkin, Erkin Kulatov
Publikováno v:
Solid State Phenomena. 190:35-38
We report on ab initio density-functional calculations of a novel spintronics-related compound CrGa2Sb2 recently synthesized under high pressure. The effect of Cr deficiency on the electronic, magnetic and optical properties of CrGa2Sb2 is considered
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fe123b2d6428333abba1aceb37584b5a
https://doi.org/10.4028/www.scientific.net/ssp.190.35
https://doi.org/10.4028/www.scientific.net/ssp.190.35
Publikováno v:
Solid State Phenomena. 190:113-116
Energy difference between the ferromagnetic and antiferromagnetic collinear orderings has been calculated for the uniform and dimer Mn-pair geometries in order to find the ground state distribution of the Mn atoms in InSb (As) hosts. We find the pref
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::428784598e91f74e20027a7bdcfdf756
https://doi.org/10.4028/www.scientific.net/ssp.190.113
https://doi.org/10.4028/www.scientific.net/ssp.190.113
Autor:
Yurii Uspenskii, Erkin Kulatov, Svetlana Popova, M. V. Magnitskaya, Evgenii G. Maksimov, Vadim V. Brazhkin
Publikováno v:
International Journal of Quantum Chemistry. 113:820-829
The structural, transport, magnetic, and optical properties of high-pressure-synthesized metastable compounds CrGaSb and CrGa2Sb2 are calculated from first principles. In addition to theoretical results, new X-ray structural measurements of CrGa2Sb2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a0bd5add1197390f70f4c0bfdc47d68
https://doi.org/10.1002/qua.24097
https://doi.org/10.1002/qua.24097