Charge storage mechanisms of a π–d conjugated polymer for advanced alkali-ion battery anodes

Kapaev, Roman R.; Zhugayevych, Andriy; Ryazantsev, Sergey V.; Aksyonov, Dmitry A.; Novichkov, Daniil A.; Matveev, Petr I.; Stevenson, Keith J.

doi:10.1039/d2sc03127b

Cited by 9 publications

(5 citation statements)

References 49 publications

(80 reference statements)

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“…Though reported in 1969, [14] the next groundbreaking results came more than a decade later, which reported the use of doped polyacetylene as cathode material. In the process of finding an active organic electrode material, the electron affinity and the ability of different types of organic compounds to react reversibly with the alkali metal has been probed by numerous researchers [15] . In one such research venture, Tobishima and their group studied 17 different organic compounds for application as electrode active material.…”

Section: Introductionmentioning

confidence: 99%

“…In the process of finding an active organic electrode material, the electron affinity and the ability of different types of organic compounds to react reversibly with the alkali metal has been probed by numerous researchers. [15] In one such research venture, Tobishima and their group studied 17 different organic compounds for application as electrode active material. This led to the first report of using 2,4,7-trinitro-9-fluorenone, a nitrile compound, as active material.…”

Section: Introductionmentioning

confidence: 99%

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Synergistically Improving the Stability and Operating Potential of Organic Cathodes for Sodium‐Ion Battery

Suriyakumar

Mazumder

Dilip

et al. 2023

Batteries & Supercaps

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Establishing a sustainable energy solution is one of the most important issues in achieving a greener community. Given the geographically limited cobalt resources, the rising concerns about the growth of electric vehicle sectors driven by lithiumion batteries consisting of cobalt-based cathodes have pushed the research community to probe alternate avenues. In this endeavor, employing organic electrodes can open the road to green and sustainable batteries. Among many new emerging candidates, polyimides are still being considered as cathode candidates owing to their tunability. This work envisaged tailoring the reduction potential and enhancing the cycling stability of a perylene polyimide-based organic cathode through a dual modification strategy. The influence of the twist induced by chlorine functionality at the bay position of perylene diimide and the role of the linker is systematically summarized. The correlation between the reduction potentials and the electron-withdrawing ability of the four-chlorine baysubstituent was supported by HOMO-LUMO energy levels and orbital iso-surface studies of the monomers. The accompanying thiourea linker group has significantly increased the cycling stability for 200 cycles at 1 A g À 1 current density. This approach can be expanded to other organic battery chemistries for significantly enhanced electrochemical performance.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synergistically Improving the Stability and Operating Potential of Organic Cathodes for Sodium‐Ion Battery

Suriyakumar

Mazumder

Dilip

et al. 2023

Batteries & Supercaps

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“…In addition to the applications mentioned above, conjugated polymers also show promise in aggregation-induced emissions, batteries, − and thermoelectrics, though we refrain from delving into the specifics in our current paper. The future of conjugated polymer studies could be illuminated by the transformative potential of AI/ML.…”

Section: Discussionmentioning

confidence: 99%

Artificial Intelligence for Conjugated Polymers

Yang,

Vriza,

Castro Rubio

et al. 2024

Chem. Mater.

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Conjugated polymers have garnered significant attention due to their diverse applications in electronics, photonics, and energy storage. However, realizing their full potential poses a formidable challenge, as their design has historically relied on iterative adjustments and continuous inspiration from researchers. Traditional methods often struggle to efficiently navigate their vast chemical landscape. Herein, the application of artificial intelligence (AI), specifically machine learning (ML), needs to be discussed in the realm of conjugated polymers. Our paper emphasizes the importance of understanding the structure− property relationships of these polymers and how ML can facilitate property prediction and inverse-design. We delve into various chemical fingerprints, structural descriptors, and ML algorithms, showcasing their utility across a spectrum of applications, including simulations, glass transition temperature determination, photovoltaics, reorganization energy for charge transport, photocatalysts, and sensors. Finally, we give some outlooks in this filed and propose unexplored areas within the field that hold the potential to benefit from ML techniques.

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“…Two independent measurements instead of one increase the total time for the data acquisition as well as the risk that I 0 instability will cause glitches. Besides that, if the sample environment is complex [such as an operand spectroelectrochemical cell (Kapaev et al, 2022) or other instruments, such as actinide in situ cells], the removal of the sample and its environment may have an unknown effect on the spectrum. The reliability of this approach was confirmed by Co K-edge experiments, conducted with metal Co foil.…”

Section: Spectrometer Descriptionmentioning

confidence: 99%

Laboratory-based X-ray spectrometer for actinide science

Novichkov,

Trigub,

Gerber

et al. 2023

J Synchrotron Radiat

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X-ray absorption and emission spectroscopies nowadays are advanced characterization methods for fundamental and applied actinide research. One of the advantages of these methods is to reveal slight changes in the structural and electronic properties of radionuclides. The experiments are generally carried out at synchrotrons. However, considerable progress has been made to construct laboratory-based X-ray spectrometers for X-ray absorption and emission spectroscopies. Laboratory spectrometers are reliable, effective and accessible alternatives to synchrotrons, especially for actinide research, which allow dispensing with high costs of the radioactive sample transport and synchrotron time. Moreover, data from laboratory spectrometers, obtained within a reasonable time, are comparable with synchrotron results. Thereby, laboratory spectrometers can complement synchrotrons or can be used for preliminary experiments to find perspective samples for synchrotron experiments with better resolution. Here, the construction and implementation of an X-ray spectrometer (LomonosovXAS) in Johann-geometry at a radiochemistry laboratory is reported. Examples are given of the application of LomonosovXAS to actinide systems relevant to the chemistry of f-elements, the physical chemistry of nuclear power engineering and the long-term disposal of spent nuclear fuel.

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Charge storage mechanisms of a π–d conjugated polymer for advanced alkali-ion battery anodes

Abstract: Charge storage mechanisms of NiBTA, a 1D π–d conjugated polymer derived from benzenetetramine, are studied in Li-, Na- and K-based batteries with a set of advanced experimental and computational methods.

Cited by 9 publications

References 49 publications

Synergistically Improving the Stability and Operating Potential of Organic Cathodes for Sodium‐Ion Battery

Synergistically Improving the Stability and Operating Potential of Organic Cathodes for Sodium‐Ion Battery

Artificial Intelligence for Conjugated Polymers

Laboratory-based X-ray spectrometer for actinide science

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