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Banerjee, A., Araujo, R. B., Sjödin, M. & Ahuja, R. (2018). Identifying the tuning key of disproportionation redox reaction in terephthalate: A Li-based anode for sustainable organic batteries. Nano Energy, 47, 301-308
Open this publication in new window or tab >>Identifying the tuning key of disproportionation redox reaction in terephthalate: A Li-based anode for sustainable organic batteries
2018 (English)In: Nano Energy, ISSN 2211-2855, E-ISSN 2211-3282, Vol. 47, p. 301-308Article in journal (Refereed) Published
Abstract [en]

The ever-increasing consumption of energy storage devices has pushed the scientific community to realize strategies toward organic electrodes with superior properties. This is owed to advantages such as economic viability and eco-friendliness. In this context, the family of conjugated dicarboxylates has emerged as an interesting candidate for the application as negative electrodes in advanced Li-ion batteries due to the revealed thermal stability, rate capability, high capacity and high cyclability. This work aims to rationalize the effects of small molecular modifications on the electrochemical properties of the terephthalate anode by means of first principles calculations. The crystal structure prediction of the investigated host compounds dilithium terephthalate (Li2TP) and diethyl terephthalate (Et2Li0TP) together with their crystal modification upon battery cycling enable us to calculate the potential profile of these materials. Distinct underlying mechanisms of the redox reactions were obtained where Li2TP comes with a disproportionation reaction while Et2Li0TP displays sequential redox reactions. This effect proved to be strongly correlated to the Li coordination number evolution upon the Li insertion into the host structures. Finally, the calculations of sublimation enthalpy inferred that polymerization techniques could easily be employed in Et2Li0TP as compared to Li2TP. Similar results are observed with methyl, propyl, and vinyl capped groups. That could be a strategy to enhance the properties of this compound placing it into the gallery of the new anode materials for state of art Li-batteries.

Keywords
Li-ion organic battery, Lithium terephthalate, Disproportionation, Redox potential
National Category
Physical Chemistry Materials Chemistry Engineering and Technology
Identifiers
urn:nbn:se:uu:diva-354095 (URN)10.1016/j.nanoen.2018.02.038 (DOI)000430057000031 ()
Funder
Swedish Research Council, 2016-06014
Available from: 2018-06-19 Created: 2018-06-19 Last updated: 2018-07-04Bibliographically approved
Åkerlund, L., Emanuelsson, R., Strömme, M. & Sjödin, M. (2018). The proton trap – a new route to high potential organic energy storage. In: : . Paper presented at Gordon Research Conference: Electronic Processes in Organic Materials.
Open this publication in new window or tab >>The proton trap – a new route to high potential organic energy storage
2018 (English)Conference paper, Poster (with or without abstract) (Refereed)
Abstract [en]

Floods, droughts and unpredictable weather could be the new normal state and reality for millions of people in a near future, unless we drastically decrease our greenhouse gas emissions so that the temperature increase can be kept below 2°C, as was agreed upon at the climate meeting in Paris 2015. To tackle environmental issues, material innovations will most certainly be essential for many of the technical solutions needed. One of the major challenges we are facing is how to deal with the massive energy demand following the average lifestyle of today in a way that is both reliable and sustainable. Renewable energy sources have a varying output over time and cannot by themselves meet these requirements; hence ways to store the energy is crucial. Our work is aimed at finding and developing new organic materials for energy storage that can contribute to a better alternative than the batteries that are on the market today. Many aspects of the resource exploitation for making a lithium ion battery are far from sustainable and, with the increasing number of electronic devices for numerous applications, we need new options. One way to make organic energy storage is to combine a conducting polymer backbone with a redox active pendant group, as to combine the features of conductivity and insolubility brought by the polymer backbone with the capacity of the pendant group. For this combination to be applicable the two parts must match in their respective activity windows. Additionally, one also needs to have a matching electrolyte system, in which the energy storage material is cycling reversibly at a reasonable scan rate and where no degradation occurs, to get a fully viable system for practical applications.

In this work[1] we have developed new copolymers for organic energy storage containing something we call the proton trap. The proton trap system enables reversible cycling of hydroquinones, which, in comparison to their lithiated analogues, can provide a higher energy density originating in the higher redox potential. The proton trap system is based on incorporating a proton acceptor into the compound, which enables reversible proton transfer during redox-cycling. Thanks to the proton trap system, the redox processes of hydroquinone compounds can be utilized in many different electrolytes, without the use of coordinating salts (e.g. Li-salts) or protic solvents (as in aqueous electrolytes).

With a cathode based on the pure proton trap material (no additives) and Li-foil as the anode, functioning batteries were assembled and characterized. After the publication of this study, the problems connected to the linker unit have been targeted and new results continue to take us small steps forward in the work targeting renewable organic batteries for a future of sustainable energy storage. When also finding a functioning and sustainable anode material we can enable fully organic based battery systems, enabling a closed loop of renewable energy production and storage, which is something we need in order to keep the climate changes under control.

[1] Åkerlund, L., Emanuelsson, R., Renault, S., Huang, H., Brandell, D., Strømme, M., Sjödin M. (2017). The proton trap Technology—Toward high potential quinone‐based organic energy storage. Advanced Energy Materials, 7(20), 1700259.

Keywords
Organic energy storage, Proton trap, Conducting redox polymers, Hydroquinones
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-359834 (URN)
Conference
Gordon Research Conference: Electronic Processes in Organic Materials
Funder
SweGRIDS - Swedish Centre for Smart Grids and Energy Storage, 125809601
Available from: 2018-09-06 Created: 2018-09-06 Last updated: 2018-09-06
Emanuelsson, R., Sterby, M., Strømme, M. & Sjödin, M. (2017). An All-Organic Proton Battery. Journal of the American Chemical Society, 139(13), 4828-4834
Open this publication in new window or tab >>An All-Organic Proton Battery
2017 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 139, no 13, p. 4828-4834Article in journal (Refereed) Published
Abstract [en]

Rechargeable batteries that use organic matter as. the capacity-carrying material have previously been considered a technology for the future. Earlier batteries in which both the anode and cathode consisted of organic material required significant amounts of conductive additives and were often based on metal-ion electrolytes containing Li+ or Na+. However, we have used conducting poly(3,4-ethylenedioxythiophene) (PEDOT), functionalized with anthraquinone (PEDQT-AQ) or, benzonquinone (PEDOT-BQ) pendant groups as the negative and positive electrode materials, respectively, to make an all-organic proton battery devoid of metals. The electrolyte consists of a proton donor and acceptor slurry containing substituted pyridinium triflates and the corresponding pyridine base. This slurry allows the 2e(-)/2H(+) quinone/hydroquinone redox reactions while suppressing proton reduction in the battery cell. By using strong (acidic) proton donors, the formal potential of the quinone redox reactions is tuned into the potential region in which the PEDOT backbone is conductive, thus eliminating the need for conducting additives. In this all-organic proton battery cell, PEDOT-AQ and PEDOT-BQ deliver 103 and 120 mAh g(-1), which correspond to 78% and 75%, respectively, of the theoretical specific capacity of the materials at an average cell potential of 0.5 V. We show that PEDOT-BQ determines the cycling stability of the device while PEDOT-AQ provides excellent reversibility for at least 1000 cycles. This proof-of-concept shows the feasibility of assembling all organic proton batteries which require no conductive additives and also reveals where the challenges and opportunities lie on the path to producing plastic batteries.

Keywords
rechargeable lithium batteries, li-ion batteries, electrode materials, energy-storage, cathode, anode, salt, electrochemistry, derivatives, polymer
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-319048 (URN)10.1021/jacs.7b00159 (DOI)000398764000036 ()28293954 (PubMedID)
Funder
Swedish Foundation for Strategic Research Swedish Research CouncilCarl Tryggers foundation Swedish Energy AgencyEU, Horizon 2020, H2020/2014-2020 644631
Available from: 2017-03-30 Created: 2017-03-30 Last updated: 2017-05-16Bibliographically approved
Araujo, R. B., Banerjee, A., Panigrahi, P., Yang, L., Sjödin, M., Strömme, M., . . . Ahuja, R. (2017). Assessing Electrochemical Properties of Polypyridine and Polythiophene for Prospective Application in Sustainable Organic Batteries. Physical Chemistry, Chemical Physics - PCCP, 19(4), 3307-3314
Open this publication in new window or tab >>Assessing Electrochemical Properties of Polypyridine and Polythiophene for Prospective Application in Sustainable Organic Batteries
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2017 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 4, p. 3307-3314Article in journal (Refereed) Published
Abstract [en]

Conducting polymers are being considered promising candidates for sustainable organic batteries mainly due to their fast electron transport properties and high recyclability. In this work, key properties of polythiophene and polypyridine have been assessed through a combined theoretical and experimental study focusing on such applications. A theoretical protocol has been developed to calculate redox potentials in solution within the framework of the density functional theory and using continuous solvation models. Here, the evolution of the electrochemical properties of solvated oligomers as a function of the length of the chain is analyzed and then the polymer properties are estimated via linear regressions using ordinary least square. The predicted values were verified against our electrochemical experiments. This protocol can now be employed to screen a large database of compounds in order to identify organic electrodes with superior properties.

National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-311276 (URN)10.1039/C6CP07435A (DOI)000394940400071 ()28091636 (PubMedID)
Funder
Swedish Foundation for Strategic Research Swedish Energy AgencyStandUpSwedish Research Council
Available from: 2016-12-22 Created: 2016-12-22 Last updated: 2017-10-19Bibliographically approved
Sterby, M., Emanuelsson, R., Huang, X., Gogoll, A., Strömme, M. & Sjödin, M. (2017). Characterization of PEDOT-Quinone Conducting Redox Polymers for Water Based Secondary Batteries. Electrochimica Acta, 235, 356-364
Open this publication in new window or tab >>Characterization of PEDOT-Quinone Conducting Redox Polymers for Water Based Secondary Batteries
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2017 (English)In: Electrochimica Acta, ISSN 0013-4686, E-ISSN 1873-3859, Vol. 235, p. 356-364Article in journal (Refereed) Published
Abstract [en]

Lithium-ion technologies show great promise to meet the demands that the transition towards renewable energy sources and the electrification of the transport sector put forward. However, concerns regarding lithium-ion batteries, including limited material resources, high energy consumption during production, and flammable electrolytes, necessitate research on alternative technologies for electrochemical energy storage. Organic materials derived from abundant building blocks and with tunable properties, together with water based electrolytes, could provide safe, inexpensive and sustainable alternatives. In this study, two conducting redox polymers based on poly(3,4-ethylenedioxythiophene) (PEDOT) and a hydroquinone pendant group have been synthesized and characterized in an acidic aqueous electrolyte. The polymers were characterized with regards to kinetics, pH dependence, and mass changes during oxidation and reduction, as well as their conductance. Both polymers show redox matching, i.e. the quinone redox reaction occurs within the potential region where the polymer is conducting, and fast redox conversion that involves proton cycling during pendant group redox conversion. These properties make the presented materials promising candidates as electrode materials for water based all-organic batteries.

Keywords
Conducting Redox Polymer, Quinone, Organic Batteries, Proton Batteries, Redox Matching
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-319049 (URN)10.1016/j.electacta.2017.03.068 (DOI)000398330200042 ()
Funder
Swedish Foundation for Strategic Research Swedish Research CouncilCarl Tryggers foundation Swedish Energy AgencyEU, Horizon 2020, 644631
Available from: 2017-03-30 Created: 2017-03-30 Last updated: 2017-05-12Bibliographically approved
Sjödin, M., Emanuelsson, R., Sterby, M., Strietzel, C., Yang, L., Huang, H., . . . Strömme, M. (2017). Conducting Redox Polymer Based Batteries. In: : . Paper presented at Organic Battery Days, Uppsala, June 8-9, 2017..
Open this publication in new window or tab >>Conducting Redox Polymer Based Batteries
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2017 (English)Conference paper, Oral presentation with published abstract (Refereed)
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-334410 (URN)
Conference
Organic Battery Days, Uppsala, June 8-9, 2017.
Available from: 2017-11-23 Created: 2017-11-23 Last updated: 2017-12-13Bibliographically approved
Yang, L., Huang, X., Mamedov, F., Zhang, P., Gogoll, A., Strömme, M. & Sjödin, M. (2017). Conducting redox polymers with non-activated charge transport properties. Physical Chemistry, Chemical Physics - PCCP, 19(36), 25052-25058
Open this publication in new window or tab >>Conducting redox polymers with non-activated charge transport properties
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2017 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 36, p. 25052-25058Article in journal (Refereed) Published
Abstract [en]

Non-activated charge transport has been demonstrated in terephthalate-functionalized conducting redox polymers. The transition from a temperature-activated conduction mechanism to a residual scattering mechanism was dependent on the doping level. The latter mechanism is associated with apparent negative activation barriers to charge transport and is generally found in polymer materials with a high degree of order. Crystallographic data, however, suggested a low degree of order in this polymer, indicating the existence of interconnected crystal domains in the predominantly amorphous polymer matrix through which the charge was transported. We have thus shown that the addition of bulky pendant groups to conducting polymers does not prevent efficient charge transport via the residual scattering mechanism with low barriers to charge transport.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-304625 (URN)10.1039/c7cp03939e (DOI)000411606200067 ()28879367 (PubMedID)
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research Stiftelsen Olle Engkvist ByggmästareEU, Horizon 2020, 64431Swedish Energy Agency
Available from: 2016-10-06 Created: 2016-10-06 Last updated: 2018-06-04Bibliographically approved
Araujo, R. B., Banerjee, A., Panigrahi, P., Yang, L., Strömme, M., Sjödin, M., . . . Ahuja, R. (2017). Designing strategies to tune reduction potential of organic molecules for sustainable high capacity batteries application. Journal of Materials Chemistry A, 5(9), 4430-4454
Open this publication in new window or tab >>Designing strategies to tune reduction potential of organic molecules for sustainable high capacity batteries application
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2017 (English)In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 5, no 9, p. 4430-4454Article in journal (Refereed) Published
Abstract [en]

Organic compounds evolve as a promising alternative to the currently used inorganic materials in rechargeable batteries due to their low-cost, environmentally friendliness and flexibility. One of the strategies to reach acceptable energy densities and to deal with the high solubility of known organic compounds is to combine small redox active molecules, acting as capacity carrying centres, with conducting polymers. Following this strategy, it is important to achieve redox matching between the chosen molecule and the polymer backbone. Here, a synergetic approach combining theory and experiment has been employed to investigate this strategy. The framework of density functional theory connected with the reaction field method has been applied to predict the formal potential of 137 molecules and identify promising candidates for the referent application. The effects of including different ring types, e.g. fused rings or bonded rings, heteroatoms, [small pi] bonds, as well as carboxyl groups on the formal potential, has been rationalized. Finally, we have identified a number of molecules with acceptable theoretical capacities that show redox matching with thiophene-based conducting polymers which, hence, are suggested as pendent groups for the development of conducting redox polymer based electrode materials.

National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-314502 (URN)10.1039/C6TA09760J (DOI)000395926100022 ()
Funder
Swedish Foundation for Strategic Research Swedish Energy AgencyStandUpSwedish Research Council
Available from: 2017-02-02 Created: 2017-02-02 Last updated: 2017-10-19Bibliographically approved
Sjödin, M., Emanuelsson, R., Sterby, M., Åkerlund, L., Huang, H., Huang, X., . . . Strömme, M. (2017). Organic Batteries Based on Quinone-Substituted Conducting Polymers. In: : . Paper presented at The 17th IUPAC International Symposium on MacroMolecular Complexes (MMC-17), Tokyo, August 28-31, 2017..
Open this publication in new window or tab >>Organic Batteries Based on Quinone-Substituted Conducting Polymers
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2017 (English)Conference paper, Oral presentation with published abstract (Refereed)
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-334414 (URN)
Conference
The 17th IUPAC International Symposium on MacroMolecular Complexes (MMC-17), Tokyo, August 28-31, 2017.
Available from: 2017-11-23 Created: 2017-11-23 Last updated: 2017-11-27Bibliographically approved
Huang, H., Karlsson, C., Mamedov, F., Strömme, M., Gogoll, A. & Sjödin, M. (2017). Polaron Disproportionation Charge Transport in a Conducting Redox Polymer. The Journal of Physical Chemistry C, 121(24), 13078-13083
Open this publication in new window or tab >>Polaron Disproportionation Charge Transport in a Conducting Redox Polymer
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2017 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 24, p. 13078-13083Article in journal (Refereed) Published
Abstract [en]

Herein we report a mechanistic study of the charge transport in poly-3-((2,5-hydroquinone)vinyl)-1H-pyrrole by conductance measurements at various temperatures performed in situ during doping of the polypyrrole backbone in contact with an aqueous electrolyte. Charge transport was found to occur by electron hopping with associated electron transfer activation energies in the range of 0.08-0.2 eV. In situ electron paramagnetic resonance experiments indicated polarons as the dominant charge carriers and the charge transport was found to follow a second-order dependence with respect to the number of accumulated charges. Based on the findings, we present a polaron comproportionation/disproportionation model for electron conduction in poly-3-((2,5-hydroquinone)vinyl)-1H-pyrrole, thus, providing a complement to existing models for charge propagation in conducting polymers.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2017
National Category
Physical Chemistry Engineering and Technology Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-329648 (URN)10.1021/acs.jpcc.7b03671 (DOI)000404201900013 ()
Funder
Swedish Foundation for Strategic Research Swedish Research CouncilStiftelsen Olle Engkvist ByggmästareSwedish Energy Agency
Available from: 2017-09-26 Created: 2017-09-26 Last updated: 2017-11-25
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0003-4126-4347

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