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Gangaprasad Rao, S., Yao, Y., Törne, K., Mølmen, L., Nederstedt, H., Leisner, P., . . . Kubart, T. (2025). Corrosion resistance of coated aluminum bipolar plates for proton exchange membrane fuel cells. Electrochimica Acta, 539, Article ID 146966.
Open this publication in new window or tab >>Corrosion resistance of coated aluminum bipolar plates for proton exchange membrane fuel cells
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2025 (English)In: Electrochimica Acta, ISSN 0013-4686, E-ISSN 1873-3859, Vol. 539, article id 146966Article in journal (Refereed) Published
Abstract [en]

Aluminum is a very attractive material for bipolar plates in proton exchange membrane (PEM) fuel cells due to its low weight, excellent thermal and electrical conductivity, as well as good recyclability. However, to achieve the necessary low contact resistance and corrosion stability, a suitable surface coating is needed. In the present study, two different material systems were evaluated, electroless deposited NiP based coatings and high-power impulse magnetron sputter-deposited (HiPIMS) Ti based coatings. The addition of a 100 nm amorphous carbon (a-C) top-layer on the NiP and Ti based coatings was also evaluated. The electrochemical corrosion behavior of the coatings was evaluated in simulated PEM environments. Potentiodynamic and potentiostatic polarization experiments revealed that the HiPIMS Ti coatings performed better than NiP coatings. The addition of the a-C top-layer on the other hand was found to be detrimental to the Ti based coatings resulting in a corrosion current density of 3.6 µA/cm2. The opposite was observed in the case of the NiP based coatings where the addition of the a-C layer decreases the corrosion current thereby increasing corrosion resistance. Further analysis showed that defects in the coating as well as the presence of a Fe-Si rich particles in the Al substrate were the initiation points for the corrosion attacks to occur.

Place, publisher, year, edition, pages
Elsevier Ltd, 2025
Keywords
Bipolar plates, Coatings, Contact resistance, Corrosion, PEM fuel cell, Aluminum, Aluminum coatings, Aluminum corrosion, Amorphous carbon, Corrosion resistance, Corrosion resistant coatings, Corrosive effects, Electrochemical corrosion, Iron alloys, Magnetron sputtering, Nickel compounds, Nickel-Phosphorus, Phosphorus compounds, Silicon compounds, Aluminum bipolar plates, Bipolar-plates, Carbon top layers, Contact resistance stability, Electrical goods, High power, Proton-exchange membranes fuel cells, Recyclability, Thermal and electrical conductivity, Ti-based, Proton exchange membrane fuel cells (PEMFC)
National Category
Surface- and Corrosion Engineering
Identifiers
urn:nbn:se:ri:diva-79352 (URN)10.1016/j.electacta.2025.146966 (DOI)2-s2.0-105013101649 (Scopus ID)
Note

Article; Granskad

Available from: 2025-11-28 Created: 2025-11-28 Last updated: 2025-11-28Bibliographically approved
Mölmen, L., Fast, L., Lundblad, A. O., Eriksson, P. & Leisner, P. (2023). Contact resistance measurement methods for PEM fuel cell bipolar plates and power terminals. Journal of Power Sources, 555, Article ID 232341.
Open this publication in new window or tab >>Contact resistance measurement methods for PEM fuel cell bipolar plates and power terminals
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2023 (English)In: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 555, article id 232341Article in journal (Refereed) Published
Abstract [en]

The electrical contact resistance is a key parameter for optimising both the bipolar plate of the polymer electrolyte membrane fuel cell (PEMFC) and the electrical contact of the power terminal of the stack. The contact resistance is affected by the conductivity, roughness, and hardness of the two contacting surfaces. Here, new, application-specific contact resistance measurement methods are proposed for both the stack power terminal, and the bipolar plate. The proposed methods are compared to methods from references as well as standards, and it is concluded that the uncertainty of the measurements can be reduced by changing the measurement setup, and that the influence of probe resistance on measurement results can be eliminated. Furthermore, the effect of different accelerated durability tests on the contact resistance of the power terminal is examined both on test coupons and on a prototype screw connection with an electroless NiP and an electroplated NiSn coatings. As expected, the NiSn coupons gives lower contact resistance after ageing as compared to the NiP. However, the increase in contact resistance seen on coupons after ageing is not observed on the prototype screw connection. © 2022 The Author(s)

Place, publisher, year, edition, pages
Elsevier B.V., 2023
Keywords
Aluminium, Electrical contact resistance, GDL, NiP, NiSn, PEMFC, Binary alloys, Current voltage characteristics, Durability, Electric contacts, Electric resistance measurement, Polyelectrolytes, Proton exchange membrane fuel cells (PEMFC), Screws, Uncertainty analysis, Bipolar-plates, Electrical contacts, Keys parameters, Measurement methods, PEM fuel cell, Power terminals, Resistance measurement, Screw connections, Contact resistance
National Category
Energy Engineering
Identifiers
urn:nbn:se:ri:diva-61352 (URN)10.1016/j.jpowsour.2022.232341 (DOI)2-s2.0-85142179649 (Scopus ID)
Note

Funding details: Horizon 2020 Framework Programme, H2020; Funding details: H2020 Marie Skłodowska-Curie Actions, MSCA, 764977; Funding details: Stiftelsen för Strategisk Forskning, SSF, ARC19-0026; Funding details: Stiftelsen för Kunskaps- och Kompetensutveckling, KKS; Funding details: Horizon 2020; Funding text 1: This work has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 764977, Swedish Foundation for Strategic Research (Project No. ARC19-0026), the ALUSAP project within the strategic innovation programme Metallic materials funded by Vinnova, Formas and Energimyndigheten, the Smart Industry Sweden project funded by the Swedish Knowledge Foundation. The authors would like to thank LPTech AB for performing the coating of the samples and Powercell AB for their input on the project.; Funding text 2: This work has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 764977 , Swedish Foundation for Strategic Research (Project No. ARC19-0026 ), the ALUSAP project within the strategic innovation programme Metallic materials funded by Vinnova , Formas and Energimyndigheten , the Smart Industry Sweden project funded by the Swedish Knowledge Foundation .

Available from: 2022-12-09 Created: 2022-12-09 Last updated: 2025-09-23Bibliographically approved
Ajpi, C., Leiva, N., Lundblad, A. O., Lindbergh, G. & Cabrera, S. (2023). Synthesis and spectroscopic characterization of Fe3+-BDC metal organic framework as material for lithium ion batteries. Journal of Molecular Structure, 1272, Article ID 134127.
Open this publication in new window or tab >>Synthesis and spectroscopic characterization of Fe3+-BDC metal organic framework as material for lithium ion batteries
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2023 (English)In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1272, article id 134127Article in journal (Refereed) Published
Abstract [en]

This work presents synthesis and spectroscopic characterization of a new metal-organic framework (MOF). The compound Fe-BDC-DMF was synthetized by the solvothermal method and prepared via a reaction between FeCl3.6H2O and benzene-1,4-dicarboxylic acid (H2BDC) or terephthalic acid using N,N-dimethylformamide (DMF) as solvent. The powder was characterized by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM) and infrared spectroscopy (IR) analysis. The electrochemical properties were investigated in a typical lithium-ion battery electrolyte by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and galvanostatic charging and discharging. The synthetized Fe-BDC-DMF metal-organic framework (MOF) contains a mixture of three phases, identified by PXRD as: MOF-235, and MIL-53(Fe) monoclinic with C2/c and P21/c space groups. The structure of the Fe-BDC is built up from Fe3+ ions, terephalates (BDC) bridges and in-situ-generated DMF ligands. The electrochemical measurements conducted in the potential range of 0.5–3.5 V vs. Li+/Li0 show the voltage profiles of Fe-BDC and a plateau capacity of around 175 mAh/g. © 2022 The Author(s)

Place, publisher, year, edition, pages
Elsevier B.V., 2023
Keywords
Lithium-ion batteries, Metal organic frameworks, Structure, Chlorine compounds, Cyclic voltammetry, Dimethylformamide, Electrochemical impedance spectroscopy, Electrolytes, Infrared spectroscopy, Ions, Iron compounds, Metal-Organic Frameworks, Metals, Organic polymers, Organic solvents, Powder metals, Scanning electron microscopy, Battery electrolyte, Dicarboxylic acid, Electrochemical-impedance spectroscopies, Fe 3+, Infrared: spectroscopy, Metalorganic frameworks (MOFs), N-N-dimethylformamide, Solvothermal method, Spectroscopic characterization, Terephthalic acids
National Category
Applied Mechanics
Identifiers
urn:nbn:se:ri:diva-60251 (URN)10.1016/j.molstruc.2022.134127 (DOI)2-s2.0-85138412411 (Scopus ID)
Note

Funding details: Styrelsen för Internationellt Utvecklingssamarbete, Sida; Funding details: Kungliga Tekniska Högskolan, KTH; Funding text 1: This work is dedicated to the late Prof. Saul Cabrera. This work was supported by the SIDA (Swedish International Development Agency), KTH Royal Institute of Technology, UMSA (Universidad Mayor de San Andres) in collaboration with IIQ (Chemical Research Institute), Department of Inorganic Chemistry and Materials Science/Advanced Materials. The authors would also like to thank Alexander J. Smith for helping to improve the language of the article.; Funding text 2: Funding for this research was provided by: SIDA (Swedish International Development Agency); KTH Royal Institute of Technology, Department of Chemical Engineering, Applied Electrochemistry; UMSA Universidad Mayor de San Andres, Department of Inorganic Chemistry and Materials Science/Advanced Materials, IIQ Chemical Research Institute.

Available from: 2022-10-10 Created: 2022-10-10 Last updated: 2025-09-23Bibliographically approved
Ajpi, C., Leiva, N., Vargas, M., Lundblad, A. O., Lindbergh, G. & Cabrera, S. (2022). Synthesis and spectroscopic characterization of NiII coordination network: Poly-[tris(µ4-Benzene-1,4-dicarboxylato)-tetrakis(µ1-dimethylformamide-κ1O)-trinickel(II)] as material for lithium ion batteries. Journal of Molecular Structure, 1265, Article ID 133316.
Open this publication in new window or tab >>Synthesis and spectroscopic characterization of NiII coordination network: Poly-[tris(µ4-Benzene-1,4-dicarboxylato)-tetrakis(µ1-dimethylformamide-κ1O)-trinickel(II)] as material for lithium ion batteries
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2022 (English)In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1265, article id 133316Article in journal (Refereed) Published
Abstract [en]

The compound Ni3(C8H4O4)3(C3H7NO)3, poly-[tris(µ4-Benzene-1,4-dicarboxylato)-tetrakis(µ1-dimethylformamide-κ1O)-trinickel(II)], was synthesized by the solvothermal method prepared via reaction between NiCl2•6H2O and terephthalic acid using N,N-dimethylformamide (DMF) as solvent. The structure was characterized by powder X-ray diffraction and infrared spectroscopy analyses. The electrochemical properties as a potential active material in lithium-ion batteries were characterized by electrochemical impedance spectroscopy and galvanostatic charge-discharge curves in a battery half-cell. The characterization results show that the coordination network contains one independent structure in the asymmetric unit. It is constructed from Ni2+ ions, terephthalate bridges and in-situ-generated DMF ligands, forming two similar two-dimensional (2D) layer structures. These similar 2D layers are in an alternating arrangement and are linked with each other by dense H—H interactions (45%) to generate a three-dimensional (3D) supramolecular framework with ordered and disordered DMF molecules. The electrochemical measurements, conducted in the potential range of 0.5–3.5 V vs Li/Li+, show that Ni3(C8H4O4)3(C3H7NO)4 has good electrochemical properties and can work as anode in lithium-ion batteries. The material presents an initial specific capacity of ∼420 mAh g−1, which drops during consecutive scans but stabilizes at ∼50 mAh g−1. However, due to the wide potential range there are indications of a gradual collapse of the structure. The electrochemical impedance spectroscopy shows an increase of charge transfer resistance from 24 to 1190 Ohms after cycling likely due to this collapse.

Place, publisher, year, edition, pages
Elsevier B.V., 2022
Keywords
Lithium-ion batteries, Materials, Metal coordination networks, Structure, Benzene, Charge transfer, Coordination reactions, Dimethylformamide, Electric discharges, Electrochemical impedance spectroscopy, Electrochemical properties, Infrared spectroscopy, Ions, Nickel compounds, Organic solvents, Coordination networks, Electrochemical-impedance spectroscopies, Metal coordination, Metal coordination network, Potential range, Solvothermal method, Spectroscopic characterization, Synthesised, Terephthalic acids, Tetrakis
National Category
Materials Engineering
Identifiers
urn:nbn:se:ri:diva-59761 (URN)10.1016/j.molstruc.2022.133316 (DOI)2-s2.0-85131459127 (Scopus ID)
Available from: 2022-07-08 Created: 2022-07-08 Last updated: 2025-09-23Bibliographically approved
Lundblad, A. O., Nordin Fürdös, A., Nilsson, K., Pettersson, K., Axelsson, L. & Ahlström, J. (2022). Vätgas som alternativ för skogsindustrins transporter– en jämförande studie (H2Timmer).
Open this publication in new window or tab >>Vätgas som alternativ för skogsindustrins transporter– en jämförande studie (H2Timmer)
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2022 (Swedish)Report (Other academic)
Abstract [sv]

Detta förstudieprojekt har visat att vätgasdrift för timmerlastbilar ger något högre men ändå liknande kilometerkostnad som ren batteridrift, men snabbare tankning och längre körsträcka, vilket ger större flexibilitet för åkaren. Även biodrivmedel kan vara ett konkurrenskraftigt alternativ. Skogsindustrin är en av Sveriges största transportanvändare. För timmertransporter är lastbil det klart viktigaste transportslaget och skogsindustrins transporter motsvarar ca 17 % av Sveriges transporterade gods på väg. Ett alternativ för omställning av skogsindustrins transporter till fossilfrihet är förnybar vätgas, som kan produceras genom elektrolys med förnybar el. Precis som el ger vätgas inte upphov till några lokala emissioner vid användningen. Produktion av vätgas kan potentiellt ha synergier för skogsindustrins massabruk, som behov av syrgas och tillgång till överskottsel. Projektet har undersökt vätgas som alternativ för skogsindustrins transporter. Hela värdekedjan, inklusive produktion, komprimering, lagring, och användning inkluderas i analysen som beaktar kostnader, energieffektivitet och växthusgasutsläpp ur ett ”well-to wheel”-perspektiv. Studien inkluderar jämförelser med andra möjliga alternativ för att ställa om transporterna till fossilfrihet så som elektrifiering och biodrivmedel. Projektet har gett resultat som kommer att ligga till grund för en mer detaljerad projekteringsstudie inför ett framtida demonstrations- och pilotprojekt. Studien som finansierats av Trafikverket genom TripleF har genomförts av RISE tillsammans med 6 skogsindustribolag, tre företag från fordonsbranschen och två systemintegratörer med fokus på vätgas. Medverkande företag och organisationer: Sveaskog, SmurfitKappa, Metsä Group, Holmen, StoraEnso, BillerudKorsnäs, AB Volvo, Volvo Penta, Volvo CE, Nilsson Energy, Euromekanik, Energiforsk, Skogsindustrierna.

Publisher
p. 129
Series
Triple F
Keywords
Vätgas, elektrolys, bränslecell, timmertransport, fossilfri, arbetsmaskiner, tankstation
National Category
Environmental Sciences
Identifiers
urn:nbn:se:ri:diva-59199 (URN)
Available from: 2022-05-17 Created: 2022-05-17 Last updated: 2025-09-23
Lundblad, A. O., Nordin Fürdös, A., Persson, K., Pettersson, K., Axelsson, L. & Ahlström, J. (2022). Vätgas som alternativ för skogsindustrins transporter– en jämförande studie (H2Timmer): Exekutiv sammanfattning.
Open this publication in new window or tab >>Vätgas som alternativ för skogsindustrins transporter– en jämförande studie (H2Timmer): Exekutiv sammanfattning
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2022 (Swedish)Report (Other academic)
Abstract [sv]

Detta förstudieprojekt har undersökt vätgas som alternativ för skogsindustrins transporter. Hela värdekedjan, inklusive produktion, komprimering, lagring, och användning inkluderas i analysen som beaktar kostnader, energieffektivitet och växthusgasutsläpp ur ett ”well-to wheel”-perspektiv. Projektet har genomförts av RISE tillsammans med följande företag och organisationer: Sveaskog, SmurfitKappa, Metsä Group, Holmen, StoraEnso, BillerudKorsnäs, AB Volvo, Volvo Penta, Volvo CE, Nilsson Energy, Euromekanik, Energiforsk, Skogsindustrierna.

Publisher
p. 5
Series
Triple F
National Category
Environmental Sciences
Identifiers
urn:nbn:se:ri:diva-59200 (URN)
Available from: 2022-05-17 Created: 2022-05-17 Last updated: 2025-09-23Bibliographically approved
Benavente-Araoz, F., Ko, J., Lundblad, A. O., Ekström, H. & Lindbergh, G. (2021). An Aging Study of NCA/Si-Graphite Lithium-Ion Cells for Off-Grid Photovoltaic Systems in Bolivia. Journal of the Electrochemical Society, 168(10), Article ID 100541.
Open this publication in new window or tab >>An Aging Study of NCA/Si-Graphite Lithium-Ion Cells for Off-Grid Photovoltaic Systems in Bolivia
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2021 (English)In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 168, no 10, article id 100541Article in journal (Refereed) Published
Abstract [en]

Performance and aging of lithium-ion 18650 cylindrical cells containing NCA and Si-graphite composite electrodes are investigated during long-term low current rate (∼0.1C) cycling protocol resembling charge/discharge profile of off-grid photovoltaic battery system. The cells are cycled within 30% and 75% state-of-charge ranges (SOC) with low, middle and high cut-off voltages. Electrochemical impedance spectroscopy data of full cylindrical cells exhibit severe aging for cells that have been cycled at higher cut-off voltage of 4.2 V. Symmetric cell impedance from each electrode shows that aging of NCA is dominant over aging of Si-graphite. Using a Newman-based impedance model, the NCA symmetrical cells' impedance spectra are parameterized to evaluate the aging modes. The resulting parameterization confirms increased particles' surface film resistance due to possible electrolyte oxidation and tortuosity increase at high cut-off voltages. Cycling the cells with middle and low cut-off voltages causes few significant changes when compared to calendar-aged samples. This opens up the possibility to significantly increase battery lifetime for small photovoltaic battery systems in rural areas of Bolivia. © 2021 The Author(s). 

Place, publisher, year, edition, pages
IOP Publishing Ltd, 2021
Keywords
Battery management systems, Charging (batteries), Electrochemical impedance spectroscopy, Electrolytes, Graphite electrodes, Lithium, Lithium-ion batteries, Photovoltaic cells, Aging studies, Cell impedance, Cutoff voltage, Cylindrical cells, Lithium ions, Lithium-ion cells, Off-grids, Performance, Photovoltaic systems, Photovoltaic/battery systems, Graphite
National Category
Materials Chemistry
Identifiers
urn:nbn:se:ri:diva-56922 (URN)10.1149/1945-7111/ac315d (DOI)2-s2.0-85118883638 (Scopus ID)
Available from: 2021-11-22 Created: 2021-11-22 Last updated: 2025-09-23Bibliographically approved
Benavente-Araoz, F., Varini, M., Lundblad, A. O., Cabrera, S. & Lindbergh, G. (2020). Effect of Partial Cycling of NCA/Graphite Cylindrical Cells in Different SOC Intervals. Journal of the Electrochemical Society, 167(4), Article ID 040529.
Open this publication in new window or tab >>Effect of Partial Cycling of NCA/Graphite Cylindrical Cells in Different SOC Intervals
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2020 (English)In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 167, no 4, article id 040529Article in journal (Refereed) Published
Abstract [en]

A quasi-realistic aging test of NCA/graphite lithium-ion 18650 cylindrical cells is performed during a long-term low c-rate cycling and using a new protocol for testing and studying the aging. This to emulate a characteristic charge/discharge profile of off-grid PV-battery systems. The cells were partially cycled at four different cut-off voltages and two state of charge ranges (ΔSOC) for 1000 and 700 cycles over 24 months. Differential voltage analysis shows that a combination of loss of active material (LAM) and loss of lithium inventory (LLI) are the causes of capacity loss. Cells cycled with high cut-off voltages and wide ΔSOC (20% to 95%) were severely affected by material degradation and electrode shift. High cut-off voltage and narrow ΔSOC (65% to 95%) caused greater electrode degradation but negligible cell unbalance. Cell impedance is observed to increase in both cells. Cells cycled with middle to low cut-off voltages and narrow ΔSOC (35%-65% and 20% to 50%) had comparable degradation rates to calendar-aged cells. Cycling NCA/graphite cells with low c-rate and high cut-off voltages will degrade the electrode in the same way high c-rate would do. However, low c-rate at low and middle cut-off voltages greatly decrease cell degradation compared to similar conditions at middle to high c-rate, therefore increasing battery lifetime. © 2020 The Author(s).

Place, publisher, year, edition, pages
Institute of Physics Publishing, 2020
Keywords
Degradation, Electrodes, Lithium, Lithium-ion batteries, Testing, Battery lifetime, Cell degradations, Charge/discharge, Cut-off voltages, Cylindrical cells, Differential voltage, Electrode degradation, Material degradation, Charging (batteries)
National Category
Natural Sciences
Identifiers
urn:nbn:se:ri:diva-44793 (URN)10.1149/1945-7111/ab78fd (DOI)2-s2.0-85083529460 (Scopus ID)
Note

Export Date: 5 May 2020; Article; CODEN: JESOA

Available from: 2020-06-08 Created: 2020-06-08 Last updated: 2025-09-23Bibliographically approved
Ajpi, C., Leiva, N., Vargas, M., Lundblad, A. O., Lindbergh, G. & Cabrera, S. (2020). Synthesis and characterization of LiFePO4-PANI hybrid material as cathode for lithium-ion batteries. Materials, 13(12)
Open this publication in new window or tab >>Synthesis and characterization of LiFePO4-PANI hybrid material as cathode for lithium-ion batteries
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2020 (English)In: Materials, E-ISSN 1996-1944, Vol. 13, no 12Article in journal (Refereed) Published
Abstract [en]

This work focuses on the synthesis of LiFePO4-PANI hybrid materials and studies their electrochem. properties (capacity, cyclability and rate capability) for use in lithium ion batteries. PANI synthesis and optimization was carried out by chem. oxidation (self-assembly process), using ammonium persulfate (APS) and H3PO4, obtaining a material with a high degree of crystallinity. For the synthesis of the LiFePO4-PANI hybrid, a thermal treatment of LiFePO4 particles was carried out in a furnace with polyaniline (PANI) and lithium acetate (AcOLi)-coated particles, using Ar/H2 atm. The pristine and synthesized powders were characterized by XRD, SEM, IR and TGA. The electrochem. characterizations were carried out by using CV, EIS and galvanostatic methods, obtaining a capacity of 95 mAhg-1 for PANI, 120 mAhg-1 for LiFePO4 and 145 mAhg-1 for LiFePO4-PANI, at a charge/discharge rate of 0.1 C. At a charge/discharge rate of 2 C, the capacities were 70 mAhg-1 for LiFePO4 and 100 mAhg-1 for LiFePO4-PANI, showing that the PANI also had a favorable effect on the rate capability.

Place, publisher, year, edition, pages
MDPI AG, 2020
Keywords
PANI, LiFePO4, conducting polymers, hybrid materials, lithium-ion batteries
National Category
Natural Sciences
Identifiers
urn:nbn:se:ri:diva-48795 (URN)10.3390/ma13122834 (DOI)2-s2.0-85095423371 (Scopus ID)
Available from: 2020-09-21 Created: 2020-09-21 Last updated: 2025-09-23Bibliographically approved
Ajpi, C., Suescun, L., Leiva, N., Lundblad, A. O., Lindbergh, G. & Cabrera, S. (2019). Crystal structure and Hirshfeld surface analysis of poly[tris-(μ4-benzene-1,4-di-carboxyl-ato)tetra-kis-(di-methyl-formamide)-trinickel(II)]: a two-dimensional coordination network.. Acta Crystallographica Section E: Crystallographic Communications, 75(Pt 12), 1839-1843
Open this publication in new window or tab >>Crystal structure and Hirshfeld surface analysis of poly[tris-(μ4-benzene-1,4-di-carboxyl-ato)tetra-kis-(di-methyl-formamide)-trinickel(II)]: a two-dimensional coordination network.
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2019 (English)In: Acta Crystallographica Section E: Crystallographic Communications, E-ISSN 2056-9890, Vol. 75, no Pt 12, p. 1839-1843Article in journal (Refereed) Published
Abstract [en]

The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-di-carboxyl-ate and DMF = di-methyl-formamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides inter-actions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF mol-ecule, which shows positional disorder. Parallel planes are connected mainly through weak C-H⋯O, H⋯H and H⋯C inter-actions between DMF mol-ecules, as shown by Hirshfeld surface analysis.

Keywords
Ni metal-organic coordination network, crystal structure, layered structure, terephthalate
National Category
Natural Sciences
Identifiers
urn:nbn:se:ri:diva-42525 (URN)10.1107/S2056989019014658 (DOI)31871741 (PubMedID)2-s2.0-85076376986 (Scopus ID)
Available from: 2020-01-10 Created: 2020-01-10 Last updated: 2025-09-23Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-1226-0788

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