BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Research of nanoscale systems of complex composition by XAFS metho d at the EXAFS spectroscopy station of SSTRC DTSTART;VALUE=DATE-TIME:20200715T070000Z DTEND;VALUE=DATE-TIME:20200715T072000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1782@indico.inp.nsk.su DESCRIPTION:Speakers: Vladimir Kriventsov ()\nThis work shows the results of the study of trial test samples of technological and natural origin\, a nd using a complex composition for the development of combined methods bas ed on synchrotron radiation (SR)\, such as μ-XANES/EXAFS\, μ-XRF\, and o thers. Main goal of the study is to adapt the developed integrated approac h for the study of micro-inclusions and microparticles by SR methods in th e near future. All the spectra of the studied samples were recorded using standard methods\, both at the experimental module of x-ray confocal micro scopy located at NRC “Kurchatov Institute” (Moscow) and at XRF-\, EXAF S- stations of Siberian Synchrotron Terahertz Radiation Center (SSTRC\, No vosibirsk).\nThe studied test samples with a complex composition (such as low-percentage metal oxide nanocomposites\, nanoalloys\, and samples of na tural origin) were synthesized and/or selected from existing collections. Test samples and benchmarks necessary for testing and developing SR techni ques were studied by a set of methods (μ-XANES/EXAFS\, μ-XRF\, XAFS\, XR F\, HRTEM\, XPS\, SEM\, EDX\, etc.). New information about phase and eleme nt compositions\, atomic structure\, morphology\, and structural parameter s was obtained for the test systems under study. The data obtained by all the methods are in a good agreement. The possibilities of the proposed app roach for the study of microparticles and micro-inclusions of complex comp osition by methods implemented using synchrotron radiation are demonstrate d.\nThe work was carried out in the framework of the RFBR projects no. 19- 05-50046\, 18-03-01251. The work was done at the shared research center SS TRC on the basis of the Novosibirsk FEL/VEPP-4-VEPP-2000 complex at BINP S B RAS\, using equipment supported by project RFMEFI62119X0022.\n\nhttps:// indico.inp.nsk.su/event/24/contributions/1782/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1782/ END:VEVENT BEGIN:VEVENT SUMMARY:Linear dichroism of NEXAFS spectra and molecular orientation in po lypyrrole and polyaniline films electrodeposited on HOPG and vitreous carb on DTSTART;VALUE=DATE-TIME:20200715T080000Z DTEND;VALUE=DATE-TIME:20200715T082000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1816@indico.inp.nsk.su DESCRIPTION:Speakers: Alexander Syugaev (Udmurt Federal Research Center\, Ural Branch of Russian Academy of Sciences 132 Kirov Street\, 426000 Izhev sk\, Russia)\nIn this work\, we have studied the structural anisotropy of polyaniline and polypyrrole films depending on the type of conductive carb on substrates\, including highly oriented pyrolytic graphite (HOPG) and vi treous carbon being a fullerene-like material in its structure. The NEXAFS spectra were measured at both carbon and nitrogen K absorption edges. To analyze the chemical structure of the polymers\, X-ray photoelectron spect ra were additionally measured. The measurements were performed at the Russ ian-German beamline at BESSY II (HZB\, Berlin).\nIt has been found that po lyaniline films are predominantly disordered\, regardless of the substrate material used. Most polypyrrole films have shown a pronounced dichroism o f the NEXAFS spectra\, indicating their structural anisotropy. The nature and intensity of the changes observed in the NEXAFS spectra when varying t he measuring geometry turned out to be the same for the HOPG and vitreous carbon for most of thin films\, which indicates a weak effect of the subst rate structure on the molecular arrangement of polypyrrole films. The spec tra measured at both edges have shown a significant decrease in π* resona nces observed on going from grazing incidence to normal one. Based on the data obtained\, the tilt angle has been estimated to be approximately 40 d egrees for the pyrrole rings of the polymer.\nIt has been found that the s ubstrate affects molecular arrangement only in thick long-term-deposited f ilms. In contrast to HOPG\, the films deposited on vitreous carbon have sh own greater fraction of charge carriers\, which are bipolarons and quatern ary nitrogen derivatives\, in the polymer structure. Such films have demon strated a relatively weak linear dichroism of the spectra\, which may indi cate a disordering of the films due to the indicated change in the chemica l structure of the polymer.\nThis work was supported by the Russian Founda tion for Basic Research (No.16-43-180228) and bilateral Program "Russian-G erman Laboratory at BESSY II".\n\nhttps://indico.inp.nsk.su/event/24/contr ibutions/1816/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1816/ END:VEVENT BEGIN:VEVENT SUMMARY:Angle-resolved photoemission spectroscopy (I05-ARPES) beamline at Diamond: getting insight into electronic structure of solids DTSTART;VALUE=DATE-TIME:20200715T092000Z DTEND;VALUE=DATE-TIME:20200715T095000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1828@indico.inp.nsk.su DESCRIPTION:Speakers: Timur Kim (Diamond Light Source)\nAngle-resolved pho toemission spectroscopy (ARPES) has proven to be particularly successful f or the investigation of the electronic structure of solids and their surfa ces. A synchrotron radiation beamline in a vacuum ultraviolet (VUV) to sof t x-ray photon energy range of 18-240 eV and a photon flux up to 2·10^13 ph/s have been constructed at the 3 GeV Diamond Light Source storage ring. The instrument features a variable polarisation undulator\, a high resolu tion monochromator\, a re-focussing system to form a beam spot of 50 × 50 μm2. The end station for high resolution photoemission spectroscopy incl udes a 6-degrees-of-freedom cryogenic sample manipulator operating in the range from 7-300K. The beamline design and its performance allow for a hig hly productive ARPES experiments at an energy resolution of ~10 meV for fa st momentum-space mapping studies and at 3 meV for high resolution measure ments.\nSecond branch has nano-ARPES end-station that uses a scanning micr oscopy piezo driven sample stage and a photons in the energy range 60-100e V. Photon beam is focused to sub-micron beam-spot using Fresnel Zone plate s. Sample can be cooled down to 25K\, giving total energy resolution of ab out 30meV.\nThe overall high productivity of the instrument performance is best judged by the publication output - see website of I05–ARPES beamli ne for more information (http://www.diamond.ac.uk/I05).\n\nhttps://indico. inp.nsk.su/event/24/contributions/1828/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1828/ END:VEVENT BEGIN:VEVENT SUMMARY:Application of synchrotron radiation to study the surface atomic s tructure of 2D materials DTSTART;VALUE=DATE-TIME:20200715T082000Z DTEND;VALUE=DATE-TIME:20200715T084000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1843@indico.inp.nsk.su DESCRIPTION:Speakers: Igor Arkhandeev (M.N. Mikheev Institute of Metal Phy sics UB RAS\, Ekaterinburg\, Russia )\nAn important task of studying the p roperties of modern materials is to study the surface\, including determin ing the atomic and electronic structure of solid. A special place is occup ied by 2D materials where the surface structure determines the properties of the material\, such as topological insulators and other low-dimensional systems. Topological insulators\, because of the special properties of th e topologically protected surface\, are promising materials for creating s pintronic devices. In this regard\, the knowledge of the atomic surface is an actual issue that requires the use of structural methods.\nAmong the m ethods that allow to obtain information about the structure of the local e nvironment\, we can distinguish the method of X-Ray photoelectron diffract ion (XPD). Photoelectrons are generated by x-ray photons\, creating an int ernal source of electrons inside the sample\, and therefore the technique is sensitive to the type of atom. Core-level electrons have a high probabi lity of being located in the inner part of the potential\, and they can be considered as a source of localized monochromatic electron waves propagat ing from the center of the potential. Combined use with the method of phot oelectron holography allows to obtain high-quality results of reconstructi on of the atomic position.\nAlthough it is possible to obtain diffraction patterns on laboratory electronic spectrometers\, the use of synchrotron r adiation has a number of advantages. First\, synchrotron radiation can ran ge from low energies (less than 100 eV) to several keV. This implements to perform photoelectron diffraction with scanning by energy (energy-scanned XPD)\, diffraction with scanning by angle (angle-scanned XPD)\, as well a s angle-scanned XPD at different energies. Second\, the photon flux must b e high enough to accumulate a large number of points in the angular and en ergy spaces.\nThis paper presents the results of using synchrotron radiati on to implement the method of X-Ray photoelectron diffraction on the surfa ces of topological insulators - bismuth chalcogenides. The experiments wer e performed at the Bessy II synchrotron center on the U49-2 PGM1 line usin g p-polarization. The obtained experimental diffraction patterns are appli ed in the photoelectron holography method to reconstruct the surface atomi c structure of solid.\n\nThe reported study was funded by RFBR\, project n umber 19-29-12061 and was carried out within the state assignment of Minis try of Science and Higher Education of the Russian Federation (theme “Sp in” No. АААА-А18-118020290104-2).\n\nhttps://indico.inp.nsk.su/even t/24/contributions/1843/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1843/ END:VEVENT BEGIN:VEVENT SUMMARY:Ni nanocoatings on porous alumina: structural properties vs matric es porosity DTSTART;VALUE=DATE-TIME:20200715T095000Z DTEND;VALUE=DATE-TIME:20200715T101000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1848@indico.inp.nsk.su DESCRIPTION:Speakers: Rishat Valeev (Physical-Technical Institute of UdmFR C UB RAS)\nDuring last decade materials science developing the methods of obtaining and studying of new materials for magnetic and catalytic aplicat ions based on nanostructured thin films and nanostructures of different me tals [1\,2]. Nickel due to there high magnetic and cathodic properties has technological and scientific interest. It should be noted that the magnet ic and catalytic properties depend on the size of material nanoparticles\, so there is an increased interest in the literature to nickel based mater ials having a developed surface due to the formation of metal nanoparticle s with different morphology [3]. This is due to the large contribution of surface electronic states of the metal with particles size decreasing. It is also strongly affected by the structural-phase state\, local atomic and electronic structure\, surface morphology.\nSynchrotron facilities give m ore precise and reliable information about structure and electronic proper ties of materials. For instance Extended X-Ray Absorption Fine Structure ( EXAFS) technique is a powerful method of obtaining of structural informati on and X-Ray Absorption Near Edge Structure (XANES) allows to investigate an electronic structure of materials. For the visualization of surface mor phology a method of Scanning Electron Microscopy (SEM) are widely used.\nI n this work we propose templating approaches based on the formation of Ni nanocoatings on the surface the porous alumina films with highly ordered a nd controlled diameter of holes. Porous alumina were obtained by anodizati on process of aluminum foils at different (40\, 80 and 120 V) voltages. We trying to identify the influence of pores sizes on the surface morphology and local atomic structure of materials. All of the above defines the sco pe of work: EXAFS and SEM investigations of Ni nanocoatings to form the ba sis of their magnetic and catalytic properties.\nThis work is supported by Russian Federation Assignment (project № AAAA-A17-117022250040-0)\, RFB R project № 18-03-01251. The work was done at the shared research center SSTRC on the basis of the Novosibirsk FEL/VEPP-4-VEPP-2000 complex at BIN P SB RAS\, using equipment supported by project RFMEFI62119X0022. SEM inve stigations were carried out using facilities of shared research center “ Surface and novel materials” UdmFRC UB RAS supported by project RFMEFI62 119X0035.\n\n1. Novel Magnetic Nanostructures Unique Properties and Applic ations. Ed. by N. Domracheva\, M. Caporali\, E. Rentschler. Elsevier\, Net herlands\, 2018\, 490 p.\n2. Y. Attia\, M. Samer\, Renewable and Sustainab le Energy Reviews\, 79\, 878 (2017).\n3. D.A. Dalla Corte\, C. Torres\, et al.\, Int. J. Hydr. Energy 37\, 3025 (2012).\n\nhttps://indico.inp.nsk.su /event/24/contributions/1848/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1848/ END:VEVENT BEGIN:VEVENT SUMMARY:LUMINESCENT SPECTROSCOPY OF Pr3+ IONS IN SOME PHOSPHATES\, BORATES AND SILICATES USING X-RAY SYNCHROTRON RADIATION FROM VEPP-3 STORAGE RING DTSTART;VALUE=DATE-TIME:20200715T101000Z DTEND;VALUE=DATE-TIME:20200715T103000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1852@indico.inp.nsk.su DESCRIPTION:Speakers: Sviatoslav Kiselev (Ural Federal University)\nLUMINE SCENT SPECTROSCOPY OF Pr${}^{3+}$ IONS IN SOME PHOSPHATES\, BORATES AND SI LICATES USING X-RAY SYNCHROTRON RADIATION FROM VEPP-3 STORAGE RING\n\nKise lev S.A.${}^{1\,\\ a)}$\, Pustovarov V.A.${}^{1\,\\ b)}$ and Bettinelli M. ${}^{2\,\\ c}$${}^{)}$\n\n${}^{1}$Institute of Physics and Technology\, Ur al Federal University\, 19 Mira st.\, Ekaterinburg\, 620002\, Russia\n\n${ }^{2\\ }$Laboratory of Luminescent Materials\, Department of Biotechnology \, University of Verona and INSTM\, UdR Verona\, Strada Le Grazie 15\, I- 37134 Verona\, Italy\n${}^{a)}$Corresponding author: sviat-kiselev@yandex. ru\n${}^{b)}$v.a.pustovarov@urfu.ru \n${}^{c}$${}^{)}$ marco.bettinelli@un ivr.it \n\n\n This paper reports the spectroscopic properties of praseodym ium-doped phosphates\, borates and silicates. Spectra of X-ray excited lum inescence and its decay kinetics were measured. Studied samples demonstrat e interconfigurational 5$d$-4$f$\, intraconfigurational 4$f$-4$f$ transiti ons and defect-related luminescence. Comparative analysis of spectroscopic properties and application perspectives is presented.\n\nInorganic scinti llating materials are being actively investigated in terms of their applic ation in fields of nuclear physics\, medicine tomography and detecting sys tems. Ce${}^{3+}$ ions impurity are widely used\, but praseodymium ions ar e able to shift the emission spectra of interconfigurational transitions t o higher energy region. The Pr${}^{3+}$ 5$d$-4$f$ emission appears\, when a sufficiently strong crystal field shifts the lowest 4$f$${}^{1}$5$d$${}^ {1}$ excited state below the ${}^{1}$S${}_{0}$ level [1].\n\nPolycrystalli ne samples KLuP${}_{2}$O${}_{7}$\, Li${}_{6}$Y(BO${}_{3}$)${}_{3}$\, LiY${ }_{6}$O${}_{5}$(BO${}_{3}$)${}_{3}$\, LiSrPO${}_{4}$\, Sr${}_{9}$Sc(PO${}_ {4}$)${}_{7}$\, K${}_{3}$Lu(PO${}_{4}$)${}_{2}$\, K${}_{3}$LuSi${}_{2}$O${ }_{7}$ doped with Pr${}^{3+}$ ions were synthesized using a solid state re action and XRD verified for phase purity at the Laboratory of Luminescent Materials\, University of Verona (Italy). \n\nThe measurements of emission spectra and luminescence decay kinetics upon excitation with non-monochro matic X-ray synchrotron radiation (E = 3--60 keV\, pulse FWHM $\\mathrm{\\ sim}$ 1 ns\, frequency $\\mathrm{\\sim}$ 8 MHz) were performed at the beam line \\#6 of the VEPP-3 storage ring at Budker Institute of Nuclear Physic s (Russia). Stroboscopic method of electron-optical chronography with sub- nanosecond time resolution was used. The detection system included a SOL I nstruments MS2004 monochromator equipped with a high-speed LI-602 dissecto r [2].\n\nFor example\, Fig. 1\, (a) demonstrate spectra of X-ray excited luminescence of some studied samples\, LiSrPO${}_{4}$:Pr${}^{3+}$\, K${}_{ 3}$LuSi${}_{2}$O${}_{7}$:Pr${}^{3+}$ and Li${}_{6}$Y(BO${}_{3}$)${}_{3}$:P r${}^{3+}$. Two principal regions can be observed there: 220-350 nm -- reg ion of interconfigurational 5$d$-4$f$ transitions in Pr${}^{3+}$ impurity ions\, and 480-650 nm -- region of intraconfiguration 4$f$-4$f$ transition . Decay kinetics of interconfigurational radiation transitions are present ed in Fig. 2\, (b). Each of them can be approximated with multiexponential description I(t) = $\\mathit{\\Sigma}$(A${}_{i}$*exp(-t/$\\tau$${}_{i}$) + I${}_{0}$. Obtained luminescence lifetime parameter $\\tau$${}_{i}$ is vital for understanding of luminescence dynamics. \n\n[Figure1][1]\n\nFIGU RE 1. Spectra (a) and kinetics (b) of X-ray excited luminescence\,T = 295 K. The wavelength and the main lifetime $\\tau$${}_{i}$ are indicated when measuring the luminescence decay kinetics\n\n1. A.M. Srivastava\, ``Aspec ts of Pr${}^{3+}$ luminescence in solids\,'' J. Lumin.\, vol. 169\, pp. 4 45-449\, January 2016.\n\n2. V.A. Pustovarov\, E.I. Zinin\, A.L. Krymov an d B.V. Shulgin\, ``Some peculiarities of the luminescence of inorganic sci ntillators under excitation by high intensity synchrotron radiation\,'' Re v. Sci. Instrum.\, vol. 63\, pp. 3521\, September 1992.\n\n\n [1]: https ://yadi.sk/i/8Et_AOfSitR60g\n\nhttps://indico.inp.nsk.su/event/24/contribu tions/1852/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1852/ END:VEVENT BEGIN:VEVENT SUMMARY:Dependence of the spectral and luminescent properties of polymethy l methacrylate on its molecular weight DTSTART;VALUE=DATE-TIME:20200715T072000Z DTEND;VALUE=DATE-TIME:20200715T074000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1888@indico.inp.nsk.su DESCRIPTION:Speakers: G.A. Lyubas (ISSCM SB RAS)\nA line of polymethylmeth acrylate (PMMA) samples was synthesized using synchrotron radiation of the VEPP-3 accelerator and the high-energy electron beam of the ILU-6 acceler ator. The study was carried out during the in situ synthesis of PMMA in th e recording of luminescence spectra and their kinetics. An experimental st udy was also made of the luminescence of PMMA samples with a molecular wei ght in the range 0.2 · 10^6 - 6 · 10^6 under excitation by an SR beam in the range of 3 - 60 keV. It was found that with an increase in the molecu lar weight of PMMA\, the maximum of the luminescence band of PMMA shifts t oward the long-wavelength direction (redshift)\, and the luminescence deca y time decreases. An increase in the luminescence bandwidth with increasin g molecular weight is also observed. These effects are explained by the or dering of the polymer structure and increase in density\, which leads to a decrease in interatomic distances and\, consequently\, to a shift in elec tronic levels and a change in their width.\nThis work was supported by RFB R grants 19-29-12045\, 16-29-01050\, 14-03-00770 and the Ministry of Scien ce and Education of Russia grant AAAA-A17-117030310280-6.\n\nhttps://indic o.inp.nsk.su/event/24/contributions/1888/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1888/ END:VEVENT BEGIN:VEVENT SUMMARY:Комбинированный подход к моделиров анию электронной структуры материалов\, содержащих тяжелые переходные металлы\, лантаноиды и актиноиды. Применение к гал огенидам иттербия\, ферсмиту и ксенотиму с примесными атомами урана и тория DTSTART;VALUE=DATE-TIME:20200715T084000Z DTEND;VALUE=DATE-TIME:20200715T090000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1018@indico.inp.nsk.su DESCRIPTION:Speakers: Anatoly V. Titov (NRC "Kurchatov institute" -PNPI)\n Лабораторией квантовой химии НИЦ «Курча товский институт» - ПИЯФ (http://qchem.pnpi.spb.ru) р азработан комбинированный подход на осн ове потенциала встраивания кластера в к ристалл (который мы назвали «настраивае мым под соединение» потенциалом внедрен ия\, НСПВ\, или compound-tunable embedding potential\, CTEP) [1-3 ] для исследования различных свойств мат ериалов (периодических структур\, структ ур с примесными центрами\, адсорбции ато мов и молекул на поверхностях и других) в рамках кластерного моделирования матер иалов с высокой точностью. В первую очер едь это касается расчётов свойств «атом ов в соединении» [4]\, таких как химически е сдвиги (ХС) рентгеновских эмиссионных ( флуоресцентных) спектров (РЭС) тяжелых а томов в эффективном кристаллическом окр ужении\, тонкого и сверхтонкого расщепле ния. В случае ионно-ковалентных кристалл ов НСПВ может быть представлен в виде ли нейной комбинации нелокальных (полулока льных) псевдопотенциалов для атомов бли жнего окружения и совокупности эффектив ных зарядов на атомах дальнего окружени я без явного включения электронов атомо в окружения в расчет. «Основной кластер» рассматривается в рамках обычных прибл ижений (DFT и точные методы типа связанных кластеров)\, используемых в расчетах мол екул. \n \nИспользование кластерных расч етов с НСПВ особенно актуально для изуче ния электронной структуры и физико-хими ческих свойств материалов\, содержащих т яжёлые переходные металлы (d-элементы)\, л антаноиды и актиноиды (f-элементы)\, для к оторых требуется учет релятивистских эф фектов (включая брейтовские и квантовоэ лектро-динамические) и для которых не су ществует надежных альтернативных метод ов расчета. К числу таких кристаллов отн осятся тантало-ниобаты и другие минерал ы\, которые рассматриваются в литературе как перспективные природные «матрицы» для долговременной иммобилизации (захор онения) высокоактивных ядерных отходов\, в первую очередь актиноидов. Возможност и нового комбинированного подхода проде монстрированы в пилотных расчетах галог енидов иттербия (YbF2\,3 и YbCl2\,3)\, ферсмита (Ca Nb2O6) и ксенотима (YPO4) с примесными атомами урана и тория. Наибольшая эффективность применения комбинированного подхода ож идается в сочетании с современными эксп ериментальными методами исследования с оединений d- и f-элементов\, в частности\, с использованием источников синхротронн ого излучения и лазеров на быстрых элект ронах. Перспективы других применений но вого подхода обсуждаются. \n \n1\\. DA Maltsev\, YV Lomachuk\, VM Shakhova\, NS Mosyagin\, LV Skripnikov\, AV Titov\, Compo und-tunable embedding potential method and its application to fersmite cry stal\, arXiv:1907.06947 (2019) \n2\\. YV Lomachuk\, DA Maltsev\, NS Mosy agin\, LV Skripnikov\, RV Bogdanov\, AV Titov\, \nWhich oxidation state of uranium and thorium as point defects in xenotime is favorable? arXiv:19 11.00365 (2019) \n3\\. V.M. Shakhova\, D.A. Maltsev\, Yu.V. Lomachuk\, N .S. Mosyagin\, L.V. Skripnikov\, A.V. Titov\, Compound-tunable embedding p otential method and its application to ytterbium fluoride crystals YbF2 an d YbF3\, arXiv:1911.04332 (2019) \n4\\. Titov A.V.\, Lomachuk Y.V.\, Skr ipnikov L.V.\, Concept of effective states of atoms in compounds to descri be properties determined by the densities of valence electrons in atomic c ores\, Physical Review A 90\, 052522 (2014).\n\nhttps://indico.inp.nsk.su/ event/24/contributions/1018/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1018/ END:VEVENT BEGIN:VEVENT SUMMARY:The conduction band of the lanthanide doped chromium disulfides Cu Cr0.99Ln0.01S2 (Ln=La\, Ce\, Gd): XANES investigations DTSTART;VALUE=DATE-TIME:20200715T074000Z DTEND;VALUE=DATE-TIME:20200715T080000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1807@indico.inp.nsk.su DESCRIPTION:Speakers: Evgeniy Korotaev (Nikolaev Institute of Inorganic Ch emistry of the Siberian Branch of the Russian Academy of Sciences)\nThe s olid solution based on the copper chromium disulfide CuCrS2 are promising functional materials for modern electronics applications. These compounds exhibit the potential properties for practical usage: the thermoelectric p roperties [1]\, the ionic conductivity [2]\, the helimagnetic arrangement [3-4]\, the colossal magnetoresistance and the phase metal-insulator trans ition [4].\nThere are several approaches to control the electric and magne tic properties of CuCrS2-based compounds: the cationic substitution of chr omium atoms with transition metal atoms (CuCr1-xMxS2\, M = V\, Fe\, Mn)\, the co-intercalation of the Van der Waals gap with two atom types (Cu1-xAg xCrS2) and the chalcogen substitution (CuCrS2\, X = S\, Se\, Te). It was s hown that the low dopant solid solutions CuCr1-xMxS2 exhibit promising the rmoelectric properties. The key aspect to control the electrophysical prop erties of thermoelectric materials is the understanding of the electronic structure features. The corresponding data could be obtained from both the quantum-chemical calculations and the experimental techniques sensitive t o the electronic structure. In this regard\, the study of the X-ray absorp tion edges near edge structure (XANES) features could provide useful infor mation about the conduction band structure. Thus\, this study involves a p urposeful synthesis of the lanthanide doped solid solutions CuCr0.99Ln0.01 S2 (Ln=La\, Ce\, Gd) and detailed study of their electronic and band struc ture. A comprehensive experimental and theoretical study of the X-ray abso rption edges of the matrix elements and doped-lanthanide atoms in the cati on-substituted disulfides CuCr0.99Ln0.01S2 was carried out. Based on the o btained results\, the cationic substitution with lanthanide atoms affect t o the conduction band structure was studied.\nThe study was carried out wi th a funding from the Russian Science Foundation (project No. 19-73-10073) . The software program design for the experimental XANES spectra shape cor rection was supported by RFBR grant №16-32-00612.\n [1] Korotaev E.V\, S yrokvashin M.M.\, I.Yu. Filatova\, et al. // J. Electron. Mater. -2018.-47 . –p. 3392-3397. \n[2] Akmanova G.R.\, Davleshina A.D.\, // Lett.Mater.- 2013.- 3. –p.76-78.\n[3] Karmakar A.\, Dey K.\, Chatterjee S. et al. // Appl. Phys. Letters. – 2014. –104\, N. 5. – P. 052906.\n[4] Abramova G.M.\, Petrakovskii G.A. // Low Temperature Physics. – 2006. – 32\, N . 8/9. – p. 954-967.\n\nhttps://indico.inp.nsk.su/event/24/contributions /1807/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1807/ END:VEVENT BEGIN:VEVENT SUMMARY:Experimental and theoretical X-ray spectroscopic study of electron ic structure of sulfur-contained transition metal complexes DTSTART;VALUE=DATE-TIME:20200715T103000Z DTEND;VALUE=DATE-TIME:20200715T105000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1861@indico.inp.nsk.su DESCRIPTION:Speakers: Anastasiya Fedorenko (NIIC SB RAS)\nTasks arising wi th the growing need for alternative renewable energy sources and environme ntally pure catalytic technologies stimulate the search for new functional materials. At present\, growing interest is in compounds containing chalc ogenide and dichalcogenide groups\, which may perform as active catalytic centers. In this regard\, binuclear and trinuclear transition metal cluste rs modified with various terminal ligands have great prospects as catalyst s or precursors with higher catalytic activity\, and could be considered c onvenient structural models of active centers of industrial catalysts. The coordination of terminal ligands of various nature affects the electronic structure of clusters\, which could improve functional properties such as nonlinear optical properties\, reactivity\, and other physicochemical pro perties.\nAn important issue in obtaining new functional materials is the characterization of their atomic and electronic structures. Thus\, the ele ctrocatalytic activity of materials based on dichalcogenide molybdenum clu sters or MoS2 nanoparticles with different morphologies is associated with a large number of disulfide groups in the catalyst structure. X-ray spect roscopy provides information about both the atomic and the electronic stru cture of the studied compounds.\nIn the present work\, the electronic stru cture of a series of binuclear and trinuclear transition metal clusters wi th disulfide and sulfide ligands was studied by X-ray spectroscopy methods . The S K-edge\, S L2\,3-edge XANES spectra\, and S Kβ\, M Lβ X-ray emis sion spectra of complexes with various cluster core ({M2S4}\, {M3S7}\, {M3 S4}\, M = Mo\, Nb\, V\, W) were studied. Based on quantum chemical calcula tions\, the X-ray absorption and X-ray emission spectra of sulfur atoms we re interpreted\, providing information on the energy position and partial atomic composition of the HOMOs and LUMOs\, and the electron density distr ibution in the clusters under study. Based on the obtained experimental an d theoretical data\, the effect of external sphere ligands on the nature o f the electronic interactions of cluster core\, the electronic structure o f bridge sulfide and disulfide ligands was studied. The electronic structu res of transition metal disulfides and disulfide clusters were compared.\n This work was supported by RFBR grant № 18-03-01061a.\nThe work was done at the shared research center SSTRC on the basis of the Novosibirsk FEL/V EPP-4 - VEPP-2000 complex at BINP SB RAS\, using equipment supported by pr oject RFMEFI62119X0022.\n\nhttps://indico.inp.nsk.su/event/24/contribution s/1861/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1861/ END:VEVENT BEGIN:VEVENT SUMMARY:X-RAY PHOTOELECTRON SPECTROSCOPY AND NEAR EDGE X-RAY ABSORPTION FI NE STRUCTURE SPECTROSCOPY STUDY OF SYNCHROTRON RADIATION EFFECTS ON FLUORI NATED GRAPHITE INTERCALATED N2O4 DTSTART;VALUE=DATE-TIME:20200715T105000Z DTEND;VALUE=DATE-TIME:20200715T111000Z DTSTAMP;VALUE=DATE-TIME:20260513T224454Z UID:indico-contribution-207-1867@indico.inp.nsk.su DESCRIPTION:Speakers: Galina Semushkina (Nikolaev Institute of Inorganic C hemistry)\nFluorinated graphite (FG) attracts the attention of researchers due to a wide range of physicochemical properties\, which is promising fo r its use as an element base of microelectronic devices (LED elements\, ga s sensors\, etc.)\, and also as a cathode for lithium-ion batteries. More importantly\, recent studies have shown that intercalated systems based on graphite and its derivatives can be used as a nanoreactor. In these devic es\, the layering of graphite and its screening effect allows you to purpo sefully change the reactivity of molecules and regulate the activity of fu nctional groups on the surface. In addition\, the subsequent thermal or ph otochemical treatment of fluoride graphite intercalated compound (FGIC)\, including irradiation with high-intensity light\, can lead to a significan t restructuring of the electronic structure of the system\, which opens up new possibilities for using FG.\nFor the purpose of a detailed analysis o f the mechanism of processes occurring on the surface of FGIC under the in fluence of thermal and photochemical effects\, a comprehensive study of th e electronic structure of intercalated N2O4 fluorinated graphite С2F0.8-0 .9 before and after continuous in situ illumination with polychromatic pho ton beam of high intensity (zero-order light from the dipole beamline of B ESSY II synchrotron radiation facility). X-ray photoelectron spectroscopy (XPS)\, near-edge X-ray absorption fine structure (NEXAFS)\, and Fourier t ransform infrared spectroscopy (FTIR) are used for this. \nThus\, the effe ct of synchrotron radiation on the atomic and electronic structure of FGIC C2F0.8-0.9 N2O4 has been studied. It was found that in the initial sample s of N2O4 on the surface\, the FG is in an equilibrium mixture with variou s nitrogen-containing functional groups NO2\, NO\, NO3\, N2. Thermal and p hotochemical effects on FGIC lead to defluorination of the sample and the formation of defects\, on the edge of which CF2 and CF3 bonds arise. In ad dition\, the FG matrix recovery in progress with partial removal of the in tercalate.\nThis work was supported by RFBR grant № 18-29-19073 мк.\n\ nhttps://indico.inp.nsk.su/event/24/contributions/1867/ LOCATION:Zoom Zoom 860 5034 1820 URL:https://indico.inp.nsk.su/event/24/contributions/1867/ END:VEVENT END:VCALENDAR