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  1. Article: Redox Polymers as Electrode-Active Materials for Batteries

    Esser, Birgit

    Organic Materials

    2019  Volume 01, Issue 01, Page(s) 63–70

    Abstract: Organic cathode materials are promising candidates for a new generation of ‘green batteries’, since they have low toxicity and can be produced from renewable resources or from petroleum. This review shows that organic redox polymers can show excellent ... ...

    Abstract Organic cathode materials are promising candidates for a new generation of ‘green batteries’, since they have low toxicity and can be produced from renewable resources or from petroleum. This review shows that organic redox polymers can show excellent battery performance regarding cycling stability and rate capability, and attractive specific capacities are accessible. Radical polymers and redox polymers based on heteroaromatics demonstrate superior rate capabilities and cycling stabilities at fast C-rates as well as high discharge potentials of 3–4 V versus Li/Li, while quinone- or imide-based polymers deliver high specific capacities of up to 260 mAh g −1 with stable cycling at moderate C-rates and lower discharge potentials. This review article highlights the underlying design principles showcasing selected examples of well-performing redox polymers.
    Keywords organic batteries ; redox polymers ; cathode materials ; fast charging ; transition metal-free ; high cycling stability
    Language English
    Publishing date 2019-11-01
    Publisher Georg Thieme Verlag KG
    Publishing place Stuttgart ; New York
    Document type Article
    ZDB-ID 2933949-2
    ISSN 2625-1825 ; 2625-1825
    ISSN (online) 2625-1825
    ISSN 2625-1825
    DOI 10.1055/s-0039-3401016
    Database Thieme publisher's database

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  2. Article ; Online: Cavity-promotion by pillar[5]arenes expedites organic photoredox-catalysed reductive dehalogenations.

    Schmidt, Maximilian / Esser, Birgit

    Chemical communications (Cambridge, England)

    2021  Volume 57, Issue 75, Page(s) 9582–9585

    Abstract: The efficiency of the photo-induced electron transfer in photoredox catalysis is limited by the diffusional collision of the excited catalyst and the substrate. We herein present cavity-bound photoredox catalysts, which preassociate the substrates, ... ...

    Abstract The efficiency of the photo-induced electron transfer in photoredox catalysis is limited by the diffusional collision of the excited catalyst and the substrate. We herein present cavity-bound photoredox catalysts, which preassociate the substrates, leading to significantly shortened reaction times. A pillar[5]arene serves as the cavity and phenothiazine as a catalyst in the reductive dehalogenation of aliphatic bromides as a proof of concept reaction.
    Language English
    Publishing date 2021-09-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/d1cc03221f
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Buckling up zigzag nanobelts.

    Esser, Birgit / Hermann, Mathias

    Nature chemistry

    2021  Volume 13, Issue 3, Page(s) 209–211

    Language English
    Publishing date 2021-02-10
    Publishing country England
    Document type Journal Article
    ZDB-ID 2464596-5
    ISSN 1755-4349 ; 1755-4330
    ISSN (online) 1755-4349
    ISSN 1755-4330
    DOI 10.1038/s41557-021-00642-0
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  4. Article: Cavity-promotion by pillar[5]arenes expedites organic photoredox-catalysed reductive dehalogenations

    Schmidt, Maximilian / Esser, Birgit

    Chemical communications. 2021 Sept. 21, v. 57, no. 75

    2021  

    Abstract: The efficiency of the photo-induced electron transfer in photoredox catalysis is limited by the diffusional collision of the excited catalyst and the substrate. We herein present cavity-bound photoredox catalysts, which preassociate the substrates, ... ...

    Abstract The efficiency of the photo-induced electron transfer in photoredox catalysis is limited by the diffusional collision of the excited catalyst and the substrate. We herein present cavity-bound photoredox catalysts, which preassociate the substrates, leading to significantly shortened reaction times. A pillar[5]arene serves as the cavity and phenothiazine as a catalyst in the reductive dehalogenation of aliphatic bromides as a proof of concept reaction.
    Keywords aromatic hydrocarbons ; catalysts ; catalytic activity ; dehalogenation ; electron transfer ; phenothiazine
    Language English
    Dates of publication 2021-0921
    Size p. 9582-9585.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/d1cc03221f
    Database NAL-Catalogue (AGRICOLA)

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  5. Article ; Online: Low-lying LUMO Boosts Conductance in Antiaromatic Dibenzopentalene Versus Aromatic Analogues.

    Schmidt, Maximilian / Abellán Vicente, Lydia / González, M Teresa / Zotti, Linda Angela / Esser, Birgit / Leary, Edmund

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2024  , Page(s) e202400935

    Abstract: Antiaromaticity is a fundamental concept in chemistry, but the study of molecular wires incorporating antiaromatic units is limited. Despite initial predictions, very few studies show that antiaromaticity has a beneficial effect on electron transport. ... ...

    Abstract Antiaromaticity is a fundamental concept in chemistry, but the study of molecular wires incorporating antiaromatic units is limited. Despite initial predictions, very few studies show that antiaromaticity has a beneficial effect on electron transport. Dibenzo[a,e]pentalene (DBP) is a stable structure that displays appreciable antiaromaticity within the five-membered rings of the pentalene core. We have investigated derivatives of DBP furnished with pyridyl (Py) and F4-pyridyl (PyF4) anchor groups, and compared the conductance with purely aromatic phenyl and anthracene analogues. We find that the low-bias conductance of DBP-Py is approximately 60% larger than that of the anthracene analogue Anth-Py and 250% larger compared to the phenyl derivative Ph-Py. This is due to a better alignment of the LUMO with the gold Fermi level, which we confirm by conductance-voltage spectroscopy where the conductance of DBP-Py shows the greatest voltage-dependence. The F4-pyridyl compounds, which have lower LUMO energies compared to the pyridyl analogues, did not, however, form detectable molecular junctions. The strongly electron-withdrawing fluorine atoms reduce the donor capability of the nitrogen lone-pair to the point where stable N-Au bonds no longer form.
    Language English
    Publishing date 2024-05-16
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202400935
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Anion-Rocking Chair Batteries with Tuneable Voltage using Viologen- and Phenothiazine Polymer-based Electrodes.

    Bhosale, Manik / Schmidt, Caroline / Penert, Philipp / Studer, Gauthier / Esser, Birgit

    ChemSusChem

    2023  Volume 17, Issue 5, Page(s) e202301143

    Abstract: Organic battery electrode materials offer the unique opportunity for full cells to operate in an anion-rocking chair mode. For this configuration a pair of p-type redox-active electrode materials is required with a substantial potential gap between their ...

    Abstract Organic battery electrode materials offer the unique opportunity for full cells to operate in an anion-rocking chair mode. For this configuration a pair of p-type redox-active electrode materials is required with a substantial potential gap between their redox processes. We herein investigate viologen-functionalized polystyrenes as negative electrode paired with a phenothiazine polymer as positive electrode in all-organic full cells. The 10 % crosslinked viologen polymer X
    Language English
    Publishing date 2023-11-21
    Publishing country Germany
    Document type Journal Article
    ISSN 1864-564X
    ISSN (online) 1864-564X
    DOI 10.1002/cssc.202301143
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Theoretical analysis of [5.5.6]cyclacenes: electronic properties, strain energies and substituent effects.

    Esser, Birgit

    Physical chemistry chemical physics : PCCP

    2015  Volume 17, Issue 11, Page(s) 7366–7372

    Abstract: A novel class of cyclic conjugated molecules, composed of annelated five- and six-membered rings, is proposed and theoretically investigated using density functional theory and multireference methods with regards to their structures, strain energies, ... ...

    Abstract A novel class of cyclic conjugated molecules, composed of annelated five- and six-membered rings, is proposed and theoretically investigated using density functional theory and multireference methods with regards to their structures, strain energies, aromaticity (NICS values), electronic ground states, band gaps, and the effect of substituents. These [5.5.6]ncyclacenes are predicted to be low band gap materials (below 1 eV) with, depending on their size, closed-shell singlet ground states. The strain energies from n = 4 upwards lie in the range of the synthetically known [n]cycloparaphenylenes. An investigation of the effect of rim-substitution by methyl, alkynyl, thiomethyl or phenyl groups on the electronic ground states showed that thiomethyl-substitution leads to [5.5.6]ncyclacenes with closed-shell singlet ground states for all sizes n investigated.
    Language English
    Publishing date 2015-03-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c5cp00341e
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.

    Wössner, Jan S / Esser, Birgit

    The Journal of organic chemistry

    2020  Volume 85, Issue 7, Page(s) 5048–5057

    Abstract: Charge-transfer-based materials with intramolecular donor-acceptor structures are attractive for technological applications. Herein, a series of donor-σ-acceptor dyes has been prepared in a modular approach. The design of these intramolecular charge- ... ...

    Abstract Charge-transfer-based materials with intramolecular donor-acceptor structures are attractive for technological applications. Herein, a series of donor-σ-acceptor dyes has been prepared in a modular approach. The design of these intramolecular charge-transfer dyes is based on the concept of spiroconjugation, which leads to unique materials with special optical properties. The optical transitions are based on intramolecular charge transfer, as shown by solvatochromic measurements and density functional theory (DFT) calculations. Crystallographic, computational, electrochemical, and optical studies were performed to clarify the effect of different perpendicular π-moieties on the optoelectronic properties. Our molecular tuning allowed for the synthesis of molecules exhibiting strong visible-range absorption. The compounds are not fluorescent due to structural changes in the excited state, as revealed by DFT calculations. Finally, our study describes enantiomerically pure spiroconjugated absorber molecules using 1,1'-binaphthyl-2,2'-diol (BINOL) units on the donor part.
    Language English
    Publishing date 2020-03-26
    Publishing country United States
    Document type Journal Article
    ZDB-ID 123490-0
    ISSN 1520-6904 ; 0022-3263
    ISSN (online) 1520-6904
    ISSN 0022-3263
    DOI 10.1021/acs.joc.0c00567
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Fusing Thiadiazole and Terephthalate: A Concept to Promote the Electrochemical Performance of Conjugated Dicarboxylates.

    Jouhara, Alia / Rzesny, Luisa / Rialland, Valentin / Latouche, Camille / Poizot, Philippe / Esser, Birgit

    ChemSusChem

    2023  Volume 16, Issue 13, Page(s) e202300286

    Abstract: Organic electrode materials based on conjugated dicarboxylate moieties are particularly attractive to develop metal-ion organic batteries. Exhibiting good stability properties in liquid electrolytes, such organic electrode materials can reversibly store ... ...

    Abstract Organic electrode materials based on conjugated dicarboxylate moieties are particularly attractive to develop metal-ion organic batteries. Exhibiting good stability properties in liquid electrolytes, such organic electrode materials can reversibly store alkali metal ions (Li, Na or K) at low working potential. Although many molecular designs have been investigated in the last decade, conjugated dicarboxylates are impeded by low coulombic efficiencies, especially at the first cycle, and sluggish kinetics in most cases. Herein, a new strategy in the design of conjugated carboxylates by fusing a thiadiazole heterocycle to the terephthalate core is reported. The synthesis and electrochemical performance of dilithium-2,1,3-benzothiadiazole-4,7-dicarboxylate (Li
    MeSH term(s) Lithium ; Carboxylic Acids ; Electric Power Supplies ; Electrodes
    Chemical Substances terephthalic acid (6S7NKZ40BQ) ; Lithium (9FN79X2M3F) ; Carboxylic Acids
    Language English
    Publishing date 2023-05-02
    Publishing country Germany
    Document type Journal Article
    ISSN 1864-564X
    ISSN (online) 1864-564X
    DOI 10.1002/cssc.202300286
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  10. Article ; Online: Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material.

    Ding, Bowen / Bhosale, Manik / Bennett, Troy L R / Heeney, Martin / Plasser, Felix / Esser, Birgit / Glöcklhofer, Florian

    Faraday discussions

    2024  Volume 250, Page(s) 129–144

    Abstract: Locally aromatic alkyl- ...

    Abstract Locally aromatic alkyl-
    Language English
    Publishing date 2024-03-11
    Publishing country England
    Document type Journal Article
    ISSN 1364-5498
    ISSN (online) 1364-5498
    DOI 10.1039/d3fd00145h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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