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BETA
Gustafsson, TorbjörnORCID iD iconorcid.org/0000-0003-2737-4670
Alternative names
Publications (10 of 157) Show all publications
Blidberg, A., Valvo, M., Alfredsson, M., Tengstedt, C., Gustafsson, T. & Björefors, F. (2019). Electronic changes in poly(3,4-ethylenedioxythiophene)-coated LiFeSO4F during electrochemical lithium extraction. Journal of Power Sources, 418, 84-89
Open this publication in new window or tab >>Electronic changes in poly(3,4-ethylenedioxythiophene)-coated LiFeSO4F during electrochemical lithium extraction
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2019 (English)In: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 418, p. 84-89Article in journal (Refereed) Published
Abstract [en]

The redox activity of tavorite LiFeSO4F coated with poly (3,4-ethylenedioxythiophene), i.e. PEDOT, is investigated by means of several spectroscopic techniques. The electronic changes and iron-ligand redox features of this LiFeSO4F-PEDOT composite are probed upon delithiation through X-ray absorption spectroscopy. The PEDOT coating, which is necessary here to obtain enough electrical conductivity for the electrochemical reactions of LiFeSO4F to occur, is electrochemically stable within the voltage window employed for cell cycling. Although the electronic configuration of PEDOT shows also some changes in correspondence of its reduced and oxidized forms after electrochemical conditioning in Li half-cells, its p-type doping is fully retained between 2.7 and 4.1 V with respect to Li+/Li during the first few cycles. An increased iron-ligand interaction is observed in LixFeSO4F during electrochemical lithium extraction, which appears to be a general trend for polyanionic insertion compounds. This finding is crucial for a deeper understanding of a series of oxidation phenomena in Li-ion battery cathode materials and helps paving the way to the exploration of new energy storage materials with improved electrochemical performances.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV, 2019
Keywords
Li-ion batteries, Lithium iron sulphate fluoride, Tavorite structure, X-ray absorption spectroscopy, Conductive polymers, Anionic redox processes
National Category
Materials Chemistry Inorganic Chemistry
Identifiers
urn:nbn:se:uu:diva-381567 (URN)10.1016/j.jpowsour.2019.02.039 (DOI)000462420500010 ()
Funder
Swedish Foundation for Strategic Research Swedish Research Council Formas, 245-2014-668Swedish Energy Agency, 2017-013531StandUpÅForsk (Ångpanneföreningen's Foundation for Research and Development)
Available from: 2019-04-16 Created: 2019-04-16 Last updated: 2019-04-16Bibliographically approved
Renman, V., Ojwang, D. O., Gómez, C. P., Gustafsson, T., Edström, K., Svensson, G. & Valvo, M. (2019). Manganese Hexacyanomanganate as a Positive Electrode for Nonaqueous Li-, Na-, and K-Ion Batteries. The Journal of Physical Chemistry C, 123(36), 22040-22049
Open this publication in new window or tab >>Manganese Hexacyanomanganate as a Positive Electrode for Nonaqueous Li-, Na-, and K-Ion Batteries
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2019 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 123, no 36, p. 22040-22049Article in journal (Refereed) Published
Abstract [en]

K2Mn[Mn(CN)(6)] is synthesized, characterized, and evaluated as possible positive electrode material in nonaqueous Li-, Na-, and K-ion batteries. This compound belongs to the rich and versatile family of hexacyanometallates displaying distinctive structural properties, which makes it interesting for ion insertion purposes. It can be viewed as a perovskite-like compound in which CN-bridged Mn(CN)(6) octahedra form an open framework structure with sufficiently large diffusion channels able to accommodate a variety of insertion cations. By means of galvanostatic cycling and cyclic voltammetry tests in nonaqueous alkali metal half-cells, it is demonstrated that this material is able to reversibly host Li+, Na+, and K+ ions via electrochemical insertion/deinsertion within a wide voltage range. The general electrochemical features are similar for all of these three ion insertion chemistries. An in operando X-ray diffraction investigation indicates that the original monoclinic structure is transformed into a cubic one during charging (i.e., removal of cations from the host framework) and that such a process is reversible upon subsequent cell discharge and cation reuptake.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2019
National Category
Physical Chemistry Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-395691 (URN)10.1021/acs.jpcc.9b06338 (DOI)000486360900021 ()
Funder
Swedish Research Council, 2011-6512Swedish Energy Agency, 2017-013531StandUpÅForsk (Ångpanneföreningen's Foundation for Research and Development), 18-317
Available from: 2019-10-24 Created: 2019-10-24 Last updated: 2019-10-24Bibliographically approved
Slawinski, W. A., Playford, H. Y., Hull, S., Norberg, S. T., Eriksson, S. G., Gustafsson, T., . . . Brant, W. R. (2019). Neutron Pair Distribution Function Study of FePO4 and LiFePO4. Chemistry of Materials, 31(14), 5024-5034
Open this publication in new window or tab >>Neutron Pair Distribution Function Study of FePO4 and LiFePO4
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2019 (English)In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 31, no 14, p. 5024-5034Article in journal (Refereed) Published
Abstract [en]

Neutron powder diffraction studies of the compounds FePO4 and LiFePO4 are reported. Rietveld refinement of the diffraction data provides averaged structures for both materials that are in good agreement with the published structures. In addition, detailed investigations of the short-range ion-ion correlations within each compound have been performed using the reverse Monte Carlo (RMC) modeling of the total scattering (Bragg plus diffuse) data. Although the short-range structural information for LiFePO4 is consistent with the long-range (averaged) picture, a small, but statistically significant, proportion of the anions is displaced away from their ideal sites within the RMC configurations of FePO4. These anion displacements are discussed in terms of a small concentration of Li+/Fe2+ occupying the empty octahedral sites, probably arising from incomplete delithiation of the LiFePO4 and/or antisite (Li+-Fe2+) defects introduced during the delithiation process.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2019
National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-391371 (URN)10.1021/acs.chemmater.9b00552 (DOI)000477093000007 ()
Funder
Swedish Research Council, VR-2012-5240
Available from: 2019-09-03 Created: 2019-09-03 Last updated: 2019-09-03Bibliographically approved
Lindgren, F., Rehnlund, D., Pan, R., Pettersson, J., Younesi, R., Xu, C., . . . Nyholm, L. (2019). On the Capacity Losses Seen for Optimized Nano-Si Composite Electrodes in Li-Metal Half-Cells. Advanced Energy Materials, 9(33), Article ID 1901608.
Open this publication in new window or tab >>On the Capacity Losses Seen for Optimized Nano-Si Composite Electrodes in Li-Metal Half-Cells
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2019 (English)In: Advanced Energy Materials, ISSN 1614-6832, Vol. 9, no 33, article id 1901608Article in journal (Refereed) Published
Abstract [en]

While the use of silicon‐based electrodes can increase the capacity of Li‐ion batteries considerably, their application is associated with significant capacity losses. In this work, the influences of solid electrolyte interphase (SEI) formation, volume expansion, and lithium trapping are evaluated for two different electrochemical cycling schemes using lithium‐metal half‐cells containing silicon nanoparticle–based composite electrodes. Lithium trapping, caused by incomplete delithiation, is demonstrated to be the main reason for the capacity loss while SEI formation and dissolution affect the accumulated capacity loss due to a decreased coulombic efficiency. The capacity losses can be explained by the increasing lithium concentration in the electrode causing a decreasing lithiation potential and the lithiation cut‐off limit being reached faster. A lithium‐to‐silicon atomic ratio of 3.28 is found for a silicon electrode after 650 cycles using 1200 mAhg−1 capacity limited cycling. The results further show that the lithiation step is the capacity‐limiting step and that the capacity losses can be minimized by increasing the efficiency of the delithiation step via the inclusion of constant voltage delithiation steps. Lithium trapping due to incomplete delithiation consequently constitutes a very important capacity loss phenomenon for silicon composite electrodes.

Keywords
asymmetric cycling, hard X-ray photoelectron spectroscopy, lithium trapping, silicon, solid electrolyte interphase layer
National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-398839 (URN)10.1002/aenm.201901608 (DOI)000477265600001 ()
Funder
Swedish Research Council, VR-2015-04421Swedish Research Council, VR-2017-06320StandUp
Note

De 2 första författarna delar förstaförfattarskapet.

Available from: 2019-12-11 Created: 2019-12-11 Last updated: 2019-12-11Bibliographically approved
Liu, C., Qiu, Z., Brant, W., Younesi, R., Ma, Y., Edström, K., . . . Zhu, J.-F. (2018). A free standing Ru–TiC nanowire array/carbon textile cathode with enhanced stability for Li–O2 batteries. Journal of Materials Chemistry A, 6, 23659-23668
Open this publication in new window or tab >>A free standing Ru–TiC nanowire array/carbon textile cathode with enhanced stability for Li–O2 batteries
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2018 (English)In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 6, p. 23659-23668Article in journal (Refereed) Published
Abstract [en]

The instability of carbon cathode materials is one of the key problems that hinder the development of lithium–air/lithium–oxygen (Li–O2) batteries. In this contribution, a type of TiC-based cathode is developed as a suitable alternative to carbon based cathodes, and its stability with respect to its surface properties is investigated. Here, a free-standing TiC nanowire array cathode was in situ grown on a carbon textile, covering its exposed surface. The TiC nanowire array, via deposition with Ru nanoparticles, showed enhanced oxygen reduction/evolution activity and cyclability, compared to the one without Ru modification. The battery performance of the Li–O2cells with Ru–TiC was investigated by using in operando synchrotron radiation powder X-ray diffraction (SR-PXD) during a full cycle. With the aid of surface analysis, the role of the cathode substrate and surface modification is demonstrated. The presented results are a further step toward a wise design of stable cathodes for Li–O2 batteries.

National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-369118 (URN)DOI: 10.1039/c7ta10930j (DOI)000451813300047 ()
Funder
Swedish Research CouncilSwedish Energy Agency
Available from: 2018-12-10 Created: 2018-12-10 Last updated: 2019-03-19Bibliographically approved
Liu, C., Carboni, M., Brant, W., Pan, R., Hedman, J., Zhu, J., . . . Younesi, R. (2018). On the Stability of NaO2 in Na–O2 Batteries. ACS Applied Materials and Interfaces, 10(16), 13534-13541
Open this publication in new window or tab >>On the Stability of NaO2 in Na–O2 Batteries
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2018 (English)In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 10, no 16, p. 13534-13541Article in journal (Refereed) Published
Abstract [en]

Na–O2 batteries are regarded as promising candidates for energy storage. They have higher energy efficiency, rate capability, and chemical reversibility than Li–O2 batteries; in addition, sodium is cheaper and more abundant compared to lithium. However, inconsistent observations and instability of discharge products have inhibited the understanding of the working mechanism of this technology. In this work, we have investigated a number of factors that influence the stability of the discharge products. By means of in operando powder X-ray diffraction study, the influence of oxygen, sodium anode, salt, solvent, and carbon cathode were investigated. The Na metal anode and an ether-based solvent are the main factors that lead to the instability and decomposition of NaO2 in the cell environment. This fundamental insight brings new information on the working mechanism of Na–O2 batteries.

Keywords
metal-air battery, in operando X-ray diffraction, sodium superoxide, NaO2, decomposition
National Category
Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-356097 (URN)10.1021/acsami.8b01516 (DOI)000431150900032 ()29616791 (PubMedID)
Funder
Swedish Research CouncilSwedish Energy AgencyStandUpÅForsk (Ångpanneföreningen's Foundation for Research and Development)
Available from: 2018-07-19 Created: 2018-07-19 Last updated: 2018-10-05Bibliographically approved
Xu, C., Jeschull, F., Brant, W. R., Brandell, D., Edström, K. & Gustafsson, T. (2018). The Role of LiTDI Additive in LiNi1/3Mn1/3Co1/3O2/ Graphite Lithium-Ion Batteries at Elevated Temperatures. Journal of the Electrochemical Society, 165(2), A40-A46
Open this publication in new window or tab >>The Role of LiTDI Additive in LiNi1/3Mn1/3Co1/3O2/ Graphite Lithium-Ion Batteries at Elevated Temperatures
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2018 (English)In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 165, no 2, p. A40-A46Article in journal (Refereed) Published
Abstract [en]

The poor thermal stability of conventional LiPF6-based electrolytes is one of the major obstacles for today's lithium-ion batteries. Recently, lithium 4,5-dicyano-2-( trifluoromethyl) imidazolide (LiTDI) has demonstrated to be highly efficient in scavenging moisture from the electrolyte and thereby improving electrolyte stability. In this context, effects of the LiTDI additive on LiNi1/3Mn1/3Co1/3O2 (NMC)/graphite cells are evaluated at a temperature of 55 degrees C. With the incorporation of LiTDI, an improved cycling performance of NMC/graphite cells was achieved, and the impedance increase at the NMC/electrolyte interface was significantly mitigated. Furthermore, LiTDI exhibited a profound influence on the interfacial chemistries in the full cell, and LiTDI-derived species were found on the surfaces of both the cathode and the anode. The SEI layer formed on graphite anodes was more homogenous in morphology and consisted of larger amounts of LiF and fewer oxygen-containing species, as compared to graphite in additive-free cells. This study shows that LiTDI is a promising electrolyte additive for NMC/graphite cells operated at elevated temperatures, highlighting that the influence of the LiTDI additive is worth exploring also in other battery chemistries.

Place, publisher, year, edition, pages
ELECTROCHEMICAL SOC INC, 2018
National Category
Materials Chemistry Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-356819 (URN)10.1149/2.0231802jes (DOI)000431786800005 ()
Funder
Swedish Energy Agency, 34191-1
Available from: 2018-08-16 Created: 2018-08-16 Last updated: 2019-12-11Bibliographically approved
Oltean, G., Plylahan, N., Ihrfors, C., Wei, W., Xu, C., Edström, K., . . . Gustafsson, T. (2018). Towards Li-ion batteries operating at 80 °C: Ionic liquid versus conventional liquid electrolytes. Batteries, 4, 2-6, Article ID 10.3390/batteries4010002.
Open this publication in new window or tab >>Towards Li-ion batteries operating at 80 °C: Ionic liquid versus conventional liquid electrolytes
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2018 (English)In: Batteries, Vol. 4, p. 2-6, article id 10.3390/batteries4010002Article in journal (Refereed) Published
Abstract [en]

Li-ion battery (LIB) full cells comprised of TiO2-nanotube (TiO2-nt) and LiFePO4 (LFP)electrodes and either a conventional organic solvent based liquid electrolyte or an ionic liquid basedelectrolyte have been cycled at 80 °C. While the cell containing the ionic liquid based electrolyteexhibited good capacity retention and rate capability during 100 cycles, rapid capacity fading was found for the corresponding cell with the organic electrolyte. Results obtained for TiO2-nt and LFP half-cells indicate an oxidative degradation of the organic electrolyte at 80 °C. In all, ionic liquidbased electrolytes can be used to significantly improve the performance of LIBs operating at 80 °C.

Keywords
TiO2, ionic liquid, stability, elevated temperature, battery
National Category
Inorganic Chemistry
Research subject
Chemistry with specialization in Materials Chemistry; Chemistry with specialization in Inorganic Chemistry
Identifiers
urn:nbn:se:uu:diva-355542 (URN)10.3390/batteries4010002 (DOI)000435206300002 ()
Funder
Swedish Energy Agency, BatterifondenSwedish Foundation for Strategic Research , Road to Load
Available from: 2018-07-01 Created: 2018-07-01 Last updated: 2019-12-11Bibliographically approved
Liu, C., Rehnlund, D., Brant, W. R., Zhu, J., Gustafsson, T. & Younesi, R. (2017). Growth of NaO2 in Highly Efficient Na–O2 Batteries Revealed by Synchrotron In Operando X-ray Diffraction [Letter to the editor]. ACS Energy Letters, 2, 2440-2444
Open this publication in new window or tab >>Growth of NaO2 in Highly Efficient Na–O2 Batteries Revealed by Synchrotron In Operando X-ray Diffraction
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2017 (English)In: ACS Energy Letters, E-ISSN 2380-8195, Vol. 2, p. 2440-2444Article in journal, Letter (Other academic) Published
Abstract [en]

The development of Na–O2 batteries requires understanding the formation of reaction products, as different groups reported compounds such as sodium peroxide, sodium superoxide, and hydrated sodium peroxide as the main discharge products. In this study, we used in operando synchrotron radiation powder X-ray diffraction (SR-PXD) to (i) quantitatively track the formation of NaO2 in Na–O2 cells and (ii) measure how the growth of crystalline NaO2 is influenced by the choice of electrolyte salt. The results reveal that the discharge could be divided into two time regions and that the formation of NaO2 during the major part of the discharge reaction is highly efficient. The findings indicate that the cell with NaOTf salt exhibited higher capacity than the cell with NaPF6 salt, whereas the average domain size of NaO2 particles decreases during the discharge. This fundamental insight brings new information on the working mechanism of Na–O2 batteries.

National Category
Materials Chemistry
Research subject
Chemistry with specialization in Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-330766 (URN)10.1021/acsenergylett.7b00768 (DOI)000415914200036 ()
Projects
Na-air batteries
Available from: 2017-10-03 Created: 2017-10-03 Last updated: 2018-02-26Bibliographically approved
Liu, J., Ma, Y., Roberts, M., Gustafsson, T., Edström, K. & Zhu, J. (2017). Highly efficient Ru/MnO2 nano-catalysts for Li-O2 batteries: Quantitative analysis of catalytic Li2O2 decomposition by operando synchrotron X-ray diffraction. Journal of Power Sources, 352, 208-215
Open this publication in new window or tab >>Highly efficient Ru/MnO2 nano-catalysts for Li-O2 batteries: Quantitative analysis of catalytic Li2O2 decomposition by operando synchrotron X-ray diffraction
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2017 (English)In: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 352, p. 208-215Article in journal (Refereed) Published
Abstract [en]

In-situ or operando quantitative analysis is very important for Li-O2 batteries, in order to properly, accurately and comprehensively evaluate electrocatalysts and characterize Li-O2 electrochemistry in real-time. Synchrotron XRD can provide much higher X-ray intensity and time resolution than traditional in-house diffractometers, and therefore can contribute to quantitative analysis for Li-O2 batteries. Here, operando synchrotron XRD is further developed to quantitatively study Li-O2 batteries with nano catalysts, Ru/MnO2. The time-resolved oxygen evolution reaction (OER) kinetics for Li-O2 cells with Ru/MNT was systematically investigated using operando synchrotron radiation powder X-ray diffraction (SR-PXD). Li2O2 decomposition in the electrodes with Ru/MNT catalysts during galvanostatic and potentiostatic charge processes followed pseudo-zero-order kinetics and showed ideal Coulombic efficiency (close to 100%). Furthermore, it was found that the OER kinetics for a cell with 2 wt% Ru/MNT charged at a constant potential of 4.3 V was even faster than that for a cell with the same amount of pure Ru nanoparticles, which have been considered as a highly active catalyst for Li-O2 batteries. These results indicated that Ru/MNT with a special nanostructure represented a very efficient electrocatalyst for promoting the OER in Li-O2 batteries. We also demonstrate that synchrotron radiation XRD can "highlight" a way to quantitative analysis for Li-O2 batteries.

Keywords
Ru nanoparticle, MnO2 nanotube, Li-O-2 battery, Electrocatalyst, Oxygen evolution reaction, Operando synchrotron radiation powder X-ray diffraction (SR-PXD)
National Category
Materials Chemistry Other Chemical Engineering
Identifiers
urn:nbn:se:uu:diva-324237 (URN)10.1016/j.jpowsour.2017.03.127 (DOI)000401206100024 ()
Funder
Swedish Research Council, 2012-4681Swedish Energy Agency, 2010-000414StandUp
Available from: 2017-06-15 Created: 2017-06-15 Last updated: 2017-12-30
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0003-2737-4670

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