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Yunna L Tushinova - One of the best experts on this subject based on the ideXlab platform.
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nonstoichiometry in the systems na 2 moo 4 m moo 4 m co cd crystal structures of na 3 36 co 1 32 moo 4 3 na 3 13 mn 1 43 moo 4 3 and na 3 72 cd 1 14 moo 4 3 crystal chemistry comPositions and ionic conductivity of alluaudite type double molybdates and tungstates
Journal of Solid State Chemistry, 2017Co-Authors: S F Solodovnikov, Zoya A Solodovnikova, E S Zolotova, Vasiliy N Yudin, Oksana A Gulyaeva, Yunna L TushinovaAbstract:Abstract As results of a powder XRD study of sintered samples of the systems Na2MoO4–MMoO4 (M = Co, Cd) quenched in air from 873 K, the literature data on the phase formation and homogeneity ranges of nonstoichiometric double molybdates in these systems were corrected. The compounds are monoclinic alluaudite-type Na4-2xCo1+x(MoO4)3 (0.05 ≤ x ≤ 0.30) and Na4-2xCd1+x(MoO4)3 (0.10 ≤ x ≤ 0.40), orthorhombic lyonsite-type Na2-2yCo2+y(MoO4)3 (0.05 ≤ y ≤ 0.25), and triclinic Na2-2zCo2+z(MoO4)3 (0.10 ≤ z ≤ 0.40) of the Na2Mg5(MoO4)6 type. The temperature of the orthorhombic-to-triclinic phase transition was found to be 943 ± 10 K. Crystal structures of the alluaudite-type double molybdates (space group C2/c, Z = 4) with cobalt, manganese, and cadmium were determined. According to the Atomic Position occupations, the comPositions for the crystals were found as Na3.36Co1.32(MoO4)3 (a = 12.6381(3), b = 13.4888(4), c = 7.1244(2) A, β = 112.127(1)°, R = 0.0207), Na3.13Mn1.43(MoO4)3 (a = 12.7387(3), b = 13.6716(4), c = 7.1904(2) A, β = 112.404(1)°, R = 0.0166), and Na3.72Cd1.14(MoO4)3 (a = 12.804(3), b = 13.913(3), c = 7.326(2) A, β = 112.63(1)°, R = 0.0158). The crystal chemistry and comPositions of the alluaudite-type molybdates and tungstates were considered and mainly one-dimensional character of the sodium-ion transport was shown for them. The measured values of the ionic conductivity of sintered samples of Na3.6M1.2(MoO4)3 (M = Mg, Ni, Zn, Cd) and Na3.6Mg1.2(WO4)3 exceeds 10−3 S cm−1 at 673 K.
S F Solodovnikov - One of the best experts on this subject based on the ideXlab platform.
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nonstoichiometry in the systems na 2 moo 4 m moo 4 m co cd crystal structures of na 3 36 co 1 32 moo 4 3 na 3 13 mn 1 43 moo 4 3 and na 3 72 cd 1 14 moo 4 3 crystal chemistry comPositions and ionic conductivity of alluaudite type double molybdates and tungstates
Journal of Solid State Chemistry, 2017Co-Authors: S F Solodovnikov, Zoya A Solodovnikova, E S Zolotova, Vasiliy N Yudin, Oksana A Gulyaeva, Yunna L TushinovaAbstract:Abstract As results of a powder XRD study of sintered samples of the systems Na2MoO4–MMoO4 (M = Co, Cd) quenched in air from 873 K, the literature data on the phase formation and homogeneity ranges of nonstoichiometric double molybdates in these systems were corrected. The compounds are monoclinic alluaudite-type Na4-2xCo1+x(MoO4)3 (0.05 ≤ x ≤ 0.30) and Na4-2xCd1+x(MoO4)3 (0.10 ≤ x ≤ 0.40), orthorhombic lyonsite-type Na2-2yCo2+y(MoO4)3 (0.05 ≤ y ≤ 0.25), and triclinic Na2-2zCo2+z(MoO4)3 (0.10 ≤ z ≤ 0.40) of the Na2Mg5(MoO4)6 type. The temperature of the orthorhombic-to-triclinic phase transition was found to be 943 ± 10 K. Crystal structures of the alluaudite-type double molybdates (space group C2/c, Z = 4) with cobalt, manganese, and cadmium were determined. According to the Atomic Position occupations, the comPositions for the crystals were found as Na3.36Co1.32(MoO4)3 (a = 12.6381(3), b = 13.4888(4), c = 7.1244(2) A, β = 112.127(1)°, R = 0.0207), Na3.13Mn1.43(MoO4)3 (a = 12.7387(3), b = 13.6716(4), c = 7.1904(2) A, β = 112.404(1)°, R = 0.0166), and Na3.72Cd1.14(MoO4)3 (a = 12.804(3), b = 13.913(3), c = 7.326(2) A, β = 112.63(1)°, R = 0.0158). The crystal chemistry and comPositions of the alluaudite-type molybdates and tungstates were considered and mainly one-dimensional character of the sodium-ion transport was shown for them. The measured values of the ionic conductivity of sintered samples of Na3.6M1.2(MoO4)3 (M = Mg, Ni, Zn, Cd) and Na3.6Mg1.2(WO4)3 exceeds 10−3 S cm−1 at 673 K.
Ilias Belharouak - One of the best experts on this subject based on the ideXlab platform.
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neutron diffraction studies of the na ion battery electrode materials nacocr2 po4 3 nanicr2 po4 3 and na2ni2cr po4 3
Journal of Solid State Chemistry, 2016Co-Authors: Ben H Yahia, Rachid Essehli, Maxim Avdeev, Jinbum Park, Yangkook Sun, Mariam Al Ali Almaadeed, Ilias BelharouakAbstract:Abstract The new compounds NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 crystallize with a stuffed α-CrPO4-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 a statistical disorder Ni2+/Cr3+ was observed on both the 8g and 4a Atomic Positions, whereas in NaCoCr2(PO4)3 the statistical disorder Co2+/Cr3+ was only observed on the 8g Atomic Position. When tested as negative electrode materials, NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 delivered specific capacities of 352, 385, and 368 mA h g−1, respectively, which attests to the electrochemical activity of sodium in these compounds.
Tengfei Luo - One of the best experts on this subject based on the ideXlab platform.
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magnon and phonon dispersion lifetime and thermal conductivity of iron from spin lattice dynamics simulations
Journal of Applied Physics, 2018Co-Authors: Zeyu Liu, Tengfei LuoAbstract:In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the Atomic Position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the Atomic Position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand ...
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magnon and phonon dispersion lifetime and thermal conductivity of iron from spin lattice dynamics simulations
arXiv: Materials Science, 2017Co-Authors: Zeyu Liu, Tengfei LuoAbstract:In recent years, the fundamental physics of spin-thermal (i.e., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the Atomic Position-dependent exchange function, and thus the interaction between magnon and phonon is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.
Vasiliy N Yudin - One of the best experts on this subject based on the ideXlab platform.
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nonstoichiometry in the systems na 2 moo 4 m moo 4 m co cd crystal structures of na 3 36 co 1 32 moo 4 3 na 3 13 mn 1 43 moo 4 3 and na 3 72 cd 1 14 moo 4 3 crystal chemistry comPositions and ionic conductivity of alluaudite type double molybdates and tungstates
Journal of Solid State Chemistry, 2017Co-Authors: S F Solodovnikov, Zoya A Solodovnikova, E S Zolotova, Vasiliy N Yudin, Oksana A Gulyaeva, Yunna L TushinovaAbstract:Abstract As results of a powder XRD study of sintered samples of the systems Na2MoO4–MMoO4 (M = Co, Cd) quenched in air from 873 K, the literature data on the phase formation and homogeneity ranges of nonstoichiometric double molybdates in these systems were corrected. The compounds are monoclinic alluaudite-type Na4-2xCo1+x(MoO4)3 (0.05 ≤ x ≤ 0.30) and Na4-2xCd1+x(MoO4)3 (0.10 ≤ x ≤ 0.40), orthorhombic lyonsite-type Na2-2yCo2+y(MoO4)3 (0.05 ≤ y ≤ 0.25), and triclinic Na2-2zCo2+z(MoO4)3 (0.10 ≤ z ≤ 0.40) of the Na2Mg5(MoO4)6 type. The temperature of the orthorhombic-to-triclinic phase transition was found to be 943 ± 10 K. Crystal structures of the alluaudite-type double molybdates (space group C2/c, Z = 4) with cobalt, manganese, and cadmium were determined. According to the Atomic Position occupations, the comPositions for the crystals were found as Na3.36Co1.32(MoO4)3 (a = 12.6381(3), b = 13.4888(4), c = 7.1244(2) A, β = 112.127(1)°, R = 0.0207), Na3.13Mn1.43(MoO4)3 (a = 12.7387(3), b = 13.6716(4), c = 7.1904(2) A, β = 112.404(1)°, R = 0.0166), and Na3.72Cd1.14(MoO4)3 (a = 12.804(3), b = 13.913(3), c = 7.326(2) A, β = 112.63(1)°, R = 0.0158). The crystal chemistry and comPositions of the alluaudite-type molybdates and tungstates were considered and mainly one-dimensional character of the sodium-ion transport was shown for them. The measured values of the ionic conductivity of sintered samples of Na3.6M1.2(MoO4)3 (M = Mg, Ni, Zn, Cd) and Na3.6Mg1.2(WO4)3 exceeds 10−3 S cm−1 at 673 K.