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Fedorov, A. S.
Thermoactivated transport of molecules H-2 in narrow single-wall carbon nanotubes / A. S. Fedorov, A. F. Sadreev // Eur. Phys. J. B. - 2009. - Vol. 69, Is. 3. - P. 363-368, DOI 10.1140/epjb/e2009-00152-1. - Cited References: 40. - We are grateful to S. G. Ovchinnikov for discussions. This work has been supported by RFBR grant 0602-16132. . - ISSN 1434-6028

РУБ Physics, Condensed Matter
Рубрики:
DIFFUSION
   NANOPORES
   ENERGY
   MOTION
   FLUIDS
Кл.слова (ненормированные):
Hydrogen molecule -- Inner potential -- Lennard-Jones potential -- Periodic potentials -- Plane wave -- Potential surfaces -- Single-wall carbon nanotubes -- Thermal fluctuations -- Tube walls -- Carbon nanotubes -- Hydrogen -- Molecules -- Single-walled carbon nanotubes (SWCN)
Аннотация: By use both of the plane wave DFT and the empirical exp-6 Lennard-Jones potential methods we calculate the inner potential in narrow single-wall carbon nanotubes (SWCNT) (6, 0), (7, 0) and (3, 3) which affects the hydrogen molecules. The inner potential forms a goffered potential surface and can be approximated as V(z,r,phi)a parts per thousand V(0)sin (2 pi z/a)+V(r). We show that in these SWCNTs transport of molecules is given mainly by thermoactivated hoppings between minima of the periodic potential along the tube axis. The rate hoppings is substantially depends on temperature because of thermal fluctuations of tube wall.

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Держатели документа:
[Fedorov, A. S.
Sadreev, A. F.] Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Institute of Physics, Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Федоров, Александр Семенович; RFBR [0602-16132]
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Application of Raman spectroscopy for identification of rinneite (K3NaFeCl6) in inclusions in minerals / S. Grishina, P. Kodera, S. Goryainov [et al.] // J. Raman Spectrosc. - 2020. - Vol. 51, Is. 12. - P. 2505-2516, DOI 10.1002/jrs.6005. - Cited References: 55. - Russian Foundation for Basic Research, Grant/Award Numbers: 18-05-00682, 18-05-00682; European Regional Development Fund, Grant/Award Number: ITMS 26240220086; Vedecka Grantova Agentura MSVVaS SR a SAV, Grant/Award Number: 1/0313/20 . - ISSN 0377-0486. - ISSN 1097-4555

РУБ Spectroscopy
Рубрики:
SALT MELT
   IRON
   DEPOSIT
   FLUIDS
   TRANSFORMATIONS
   FERRIHYDRITE
Кл.слова (ненормированные):
daughter mineral -- Fe-oxyhydroxides -- fluid inclusion -- rinneite -- weathering
Аннотация: Solid daughter phases in fluid and salt melt inclusions in minerals provide important clues to characterization of mineral‐forming processes. The analysis of the fluid inclusions often requires the exposure of the daughter minerals. Rinneite (K3NaFeCl6), which is a hygroscopic mineral, decomposes in air and cannot thus be identified by conventional methods. A combined approach has been applied for investigation of synthetic and natural rinneite to acquire its diagnostic Raman spectrum for a nondestructive identification. We used natural rinneite inclusions in halite, suitable for applying a complex of methods, to clear up the reference spectrum. Improved high‐resolution X‐ray diffraction (XRD) data obtained from natural rinneite inclusion are comparable with that of previously published, with similar unit cell dimensions. Polarized Raman spectra of natural inclusions were obtained using different geometries and polarization of the incident and scattered light. Interpretation of experimental Raman spectra was performed within the framework of lattice dynamics simulations and group analysis. Individual spectral bands are interpreted in terms of Raman‐active vibrational modes of K3NaFeCl6 structural units. Raman spectrum of synthetic rinneite with main peaks at 75, 91, 103, 143, 167, 171, 187, and 239 cm−1 agrees well with the spectra of rinneite inclusions in halite from the Nepa potash deposit and rinneite daughter minerals in salt melt inclusions hosted by quartz veinlets from the porphyry gold systems in the Central Slovakia Volcanic Field. This provides a firm basis for any future identification of this mineral worldwide, using nondestructive Raman spectroscopy.

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Держатели документа:
Russian Acad Sci, Sobolev Inst Geol & Mineral, Dept Mineral, Siberian Branch, Novosibirsk, Russia.
Comenius Univ, Dept Econ Geol, Fac Nat Sci, Bratislava, Slovakia.
Kirensky Inst Phys, Mol Spect Lab, Krasnoyarsk, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk, Russia.
Novosibirsk State Univ, Dept Geol, Novosibirsk, Russia.
Slovak Acad Sci, Inst Inorgan Chem, Bratislava, Slovakia.
Russian Acad Sci, Inst Geol Ore Deposits Petrog Mineral & Geochem, Moscow, Russia.

Доп.точки доступа:
Grishina, Svetlana; Kodera, Peter; Goryainov, Sergey; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Seryotkin, Yurii; Simko, Frantisek; Polozov, Alexander G.; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-05-00682]; European Regional Development FundEuropean Union (EU) [ITMS 26240220086]; Vedecka Grantova Agentura MSVVaS SR a SAV [1/0313/20]
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