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11.
  • Agostini, Marco, 1987, et al. (författare)
  • Rational Design of Low Cost and High Energy Lithium Batteries through Tailored Fluorine-free Electrolyte and Nanostructured S/C Composite
  • 2018
  • Ingår i: ChemSusChem. - 1864-5631 .- 1864-564X. ; 11:17, s. 2981-2986
  • Tidskriftsartikel (refereegranskat)abstract
    • We report a new Li–S cell concept based on an optimized F-free catholyte solution and a high loading nanostructured C/S composite cathode. The Li2S8present in the electrolyte ensures both buffering against active material dissolution and Li+conduction. The high S loading is obtained by confining elemental S (≈80 %) in the pores of a highly ordered mesopores carbon (CMK3). With this concept we demonstrate stabilization of a high energy density and excellent cycling performance over 500 cycles. This Li–S cell has a specific capacity that reaches over 1000 mA h g−1, with an overall S loading of 3.6 mg cm−2and low electrolyte volume (i.e., 10 μL cm−2), resulting in a practical energy density of 365 Wh kg−1. The Li–S system proposed thus meets the requirements for large scale energy storage systems and is expected to be environmentally friendly and have lower cost compared with the commercial Li-ion battery thanks to the removal of both Co and F from the overall formulation.
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12.
  • Agostini, Marco, 1987, et al. (författare)
  • Stabilizing the Performance of High-Capacity Sulfur Composite Electrodes by a New Gel Polymer Electrolyte Configuration
  • 2017
  • Ingår i: ChemSusChem. - 1864-5631 .- 1864-564X. ; 10:17, s. 3490-3496
  • Tidskriftsartikel (refereegranskat)abstract
    • Increased pollution and the resulting increase in global warming are drawing attention to boosting the use of renewable energy sources such as solar or wind. However, the production of energy from most renewable sources is intermittent and thus relies on the availability of electrical energy-storage systems with high capacity and at competitive cost. Lithium–sulfur batteries are among the most promising technologies in this respect due to a very high theoretical energy density (1675 mAh g?1) and that the active material, sulfur, is abundant and inexpensive. However, a so far limited practical energy density, life time, and the scaleup of materials and production processes prevent their introduction into commercial applications. In this work, we report on a simple strategy to address these issues by using a new gel polymer electrolyte (GPE) that enables stable performance close to the theoretical capacity of a low cost sulfur–carbon composite with high loading of active material, that is, 70 % sulfur. We show that the GPE prevents sulfur dissolution and reduces migration of polysulfide species to the anode. This functional mechanism of the GPE membranes is revealed by investigating both its morphology and the Li-anode/GPE interface at various states of discharge/charge using Raman spectroscopy.
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13.
  • Aguilera Medina, Luis, 1983, et al. (författare)
  • A structural study of LiTFSI-tetraglyme mixtures: From diluted solutions to solvated ionic liquids
  • 2015
  • Ingår i: Journal of Molecular Liquids. - 0167-7322. ; 210:Part B, s. 238-242
  • Tidskriftsartikel (refereegranskat)abstract
    • We report on the nano-structure of solvated ionic liquids (SILs) formed by dissolving a Li-salt (LiTFSI) in the solvent tetraglyme. Using small angle X-ray scattering (SAXS), supported by Raman spectroscopy and computational modeling we follow how the nano-structure develops as Li-salt is added to the solvent. We find that, as the Li-salt concentration is increased a peak at Q 0.95 Å- 1 grows in intensity, signaling the presence of structural correlations typical of those found in traditional ionic liquids. The intensity of the peak reaches its maximum at the equimolar concentration, where each Li-ion can be solvated by one solvent molecule forming an effective cation complex. Combining the SAXS data with computer modeling we show that this peak can be assigned to charge alternation, also found in traditional ionic liquids. However, we also show that even at the equimolar concentration not all Li-ions are solvated by the solvent molecules, but a small fraction interacts directly with the anion (TFSI).
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14.
  • Aguilera Medina, Luis, 1983, et al. (författare)
  • Enhanced low-temperature ionic conductivity via different Li+ solvated clusters in organic solvent/ionic liquid mixed electrolytes
  • 2016
  • Ingår i: Physical Chemistry Chemical Physics. - 1463-9084 .- 1463-9076. ; 18:36, s. 25458-25464
  • Tidskriftsartikel (refereegranskat)abstract
    • We investigate Li+ coordination in mixed electrolytes based on ionic liquids (ILs) and organic solvents and its relation with the macroscopic properties such as phase behaviour and ionic conductivity. Using Raman spectroscopy we determine the solvation shell around Li+ in mixtures formed by the IL N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide, the organic solvents ethylene carbonate and dimethyl carbonate (EC : DMC 1 : 1), and the salt LiTFSI. We find that the organic solvent molecules preferentially solvate Li+ as long as there are enough of them. Our results are consistent with a model where Li(EC)(3)(DMC)(1) and Li(EC)(2)(DMC)(2) are the main complexes formed by the organic solvent molecules and where TFSI- mainly participates in Li(TFSI)(2)(-) clusters. As the amount of organic solvent is increased, the number of TFSI- around Li+ rapidly decreases showing a higher affinity of the organic solvents to solvate Li+. The changes in the local configurations are also reflected in the ionic conductivity and the phase behaviour. The formation of larger clusters leads to a decrease in the conductivity, whereas the presence of several different clusters at intermediate compositions effectively hinders crystallization at low temperatures. The result is an enhanced low-temperature ionic conductivity in comparison with the pure IL or organic solvent electrolytes.
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15.
  • Aguilera Medina, Luis, 1983, et al. (författare)
  • The effect of lithium salt doping on the nanostructure of ionic liquids
  • 2015
  • Ingår i: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry. - 1463-9084 .- 1463-9076. ; 17:40, s. 27082-27087
  • Tidskriftsartikel (refereegranskat)abstract
    • In this work we report on the evolution of the structure of two model ionic liquid families, N-alkyl-N-methylpyrrolidinium (Pyr1n-TFSI) and 1-alkyl-3-methylimidazolium (CnMIm-TFSI) (n = 3, 4, 6 and 8) both containing the bis(trifluoromethanesulfonyl)imide (TFSI) anion, upon the addition of LiTFSI using small angle X-ray scattering (SAXS). The introduction of a lithium salt (Li-salt) tunes the interactions through the substitution of the large cation in the ionic liquid with the small and charge localized lithium ion, thus increasing the coulombic contribution from ion-ion interactions. We find that the introduction of lithium ions results in a restructuring of the polar groups in the ionic liquids. These changes are manifested as an increase in the correlation lengths related to charge alternation of the ions and a more disordered structure. This restructuring is interpreted as a reconfiguration of the anions as they coordinate to the small and ionic lithium. In contrast, the length scale of the mesoscopic heterogeneities related to the clustering of alkyl chains is virtually unchanged with lithium doping. Moreover, the correlation corresponding to alkyl chain domains becomes more well defined with increasing salt concentration, suggesting that Li-salt doping, i.e. an increased columbic interaction in the system, promotes clustering of the alkyl tails.
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16.
  • Ahmed, Istaq, 1972, et al. (författare)
  • Crystal structure and proton conductivity of BaZr0.9Sc0
  • 2008
  • Ingår i: Journal of the American Ceramic Society. - 0002-7820. ; 91:9, s. 3039-3044
  • Tidskriftsartikel (refereegranskat)abstract
    • Solid-state sintering has been used to prepare the perovskite BaZr0.9Sc0.1O3-delta. Analysis of X-ray powder diffraction data shows that an increase of the unit cell parameter, a, was observed after deuteration. Rietveld analysis of room-temperature neutron powder diffraction data confirmed cubic symmetry (space group Pm-3m). Dynamic thermogravimetric analysis indicates that the hydration process occurs below 335 degrees C and approximately 58% of the theoretical number of protonic defects can be filled. The presence of protons/deutrons is seen from the strong O-H/O-D stretch band in the infrared spectrum of the hydrated/deuterated samples. The proton conductivity of a prehydrated sample was investigated under dry and wet Ar atmospheres
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17.
  • Ahmed, Istaq, 1972, et al. (författare)
  • Location of deuteron sites in the proton conducting perovskite BaZr0.50In0.50O3-y
  • 2008
  • Ingår i: Journal of Alloys and Compounds. - 0925-8388. ; 450:1-2, s. 103-110
  • Tidskriftsartikel (refereegranskat)abstract
    • High-resolution neutron powder diffraction data have been collected on deuterated and dried samples of the perovskite BaZr0.5In0.5O2.75 at 5 K and room temperature, respectively. Inspection of Fourier nuclear density maps for the deuterated phase have allowed the deuteron position to be refined on a 12h (1/2, y, 0) crystallographic site, with y = 0.217(4) yielding a chemically reasonable O-D distance of 0.92(2) angstrom. Evidence for anisotropy of the deuteron position is also found consistent with a 24k crystallographic site (0.56, 0.21, 0) indicative of displacements of the ion towards neighbouring oxygen ions. The presence of static oxygen disorder in both the dried and deuterated samples is apparent from the structural analyses. Raman spectra confirm short range deviations from cubic symmetry for both dried and hydrated samples.
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18.
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19.
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20.
  • Ahmed, Istaq, 1972, et al. (författare)
  • Structural study and proton conductivity in Yb-doped BaZrO3
  • 2007
  • Ingår i: Solid State Ionics. - 0167-2738. ; 178:(7-10), s. 515-520
  • Tidskriftsartikel (refereegranskat)abstract
    • Traditional solid state sintering has been used to prepare the perovskite BaZr0.9Yb0.1O3-delta. Analysis of X-ray powder diffraction data shows that an increase of the unit cell parameter, a, was observed compared to undoped BaZrO3. Rietveld analysis of room temperature neutron powder diffraction data confirmed cubic symmetry (space group Pm-3m). Dynamic thermogravimetric analysis (TGA) indicates that the hydration process occurs below 200 degrees C. The strong O-H stretch band, 2500-3500 cm(-1), in the infrared absorbance spectrum clearly manifests the presence of protons in the hydrated material. Proton conductivity was investigated on hydrated and as-prepared samples under dry and wet atmospheres, respectively. Keywords: X-ray diffraction; neutron diffraction; Rietveld refinement; proton conductor; perovskite
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