Antimony desinsertion reaction from SbxCoSb3−x

Abstract

Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: The case of the halide ions F−, Cl−, and Br− J. Chem. Phys. 136, 044509 (2012) Structure, energetics, and reactions of alkali tetramers J. Chem. Phys. 136, 014306 (2012) Influence of solute-solvent coordination on the orientational relaxation of ion assemblies in polar solvents J. Chem. Phys. 136, 014501 (2012) Theoretical study of the aqueous solvation of HgCl2: Monte Carlo simulations using second-order Moller-Plessetderived flexible polarizable interaction potentials J. Chem. Phys. 136, 014502 (2012) A two-dimensional-reference interaction site model theory for solvation structure near solid-liquid interface

From Occupied Voids to Nanoprecipitates: Synthesis of Skutterudite Nanocomposites in situ

“…The observed lattice‐parameter expansion and CoSb 2 formation are due to antimony self‐insertion, as previously reported49–51 and the subsequent collapse of the CoSb 3 phase under Giga‐Pascal pressures. As above, the effect is more pronounced in the RT‐processed sample as compared to the HT‐processed sample as (1) the strain energy (attendant with dislocations) is higher in the RT sample; and (2) Sb de‐insertion occurs at temperatures greater than 180 °C (at ambient pressure) as reported by Miotto et al50 Hence Sb de‐insertion, nucleation, and growth occur upon cooling the HT sample from 400 °C to room temperature. This effect is supported by SEM (Figure 3).…”

Raman-Scattering Experiments on Unfilled Skutterudite CoSb3 under High Pressure and High Temperature

“…Also, the effect of pressure on the guest mode of LaFe 4 Sb 12 was recently calculated by Martinotto et al Moreover, a recent theoretical work has reported an improvement of the thermoelectric properties of CoSb 3 under high pressure . Several studies have discussed the effect of pressure on the crystal structure of CoSb 3 and reported the equation of states and the bulk modulus of CoSb 3 and other skutterudites. − They also reported an antimony insertion reaction under high external pressure in the antimonide and arsenide unfilled skutterudites above 20 GPa at room temperature − and at pressures lower than 10 GPa under high pressure–high temperature (HP–HT) conditions. , Until now, only thermoelectric and transport properties of these Sb x Co 4 Sb 12– x samples were studied . Other properties such as lattice dynamics under high pressure of CoSb 3 are missing.…”

“…57 Several studies have discussed the effect of pressure on the crystal structure of CoSb3 and reported the equation of states and the bulk modulus of CoSb3 and other skutterudites. [58][59][60][61][62][63][64][65] They also reported an antimony insertion reaction under high external pressure in the antimonide and arsenide unfilled skutterudites above 20 GPa at room temperature [60][61][62][63][64][65] and at pressures lower than 10 GPa under high pressure-high temperature (HP-HT) conditions. 64,65 Until now, only thermoelectric and transport properties of these SbxCo4Sb12-x samples were studied.…”

“…One can thus define the implicit fraction i = / . 76 We have performed Raman scattering experiments to study the self-intercalation of antimony under high pressure as reported using X-ray diffraction by prior studies [60][61][62][63][64][65] and to determine the Grüneisen parameters of the different Raman-active modes. As the experiments have been performed on a polycrystalline sample the Raman spectra of which exhibit larger FWHM values.…”