Discovery of lead low-potential radical candidates for organic radical polymer batteries with machine-learning-assisted virtual screening

CH Li, DP Tabor - Journal of Materials Chemistry A, 2022 - pubs.rsc.org
The discovery and development of new low reduction potential molecules that also have fast
charge transfer kinetics is necessary for the further development of organic redox-active …

Machine learning-assisted discovery of high-voltage organic materials for rechargeable batteries

S Xu, J Liang, Y Yu, R Liu, Y Xu, X Zhu… - The Journal of Physical …, 2021 - ACS Publications
Organic redox compounds are rich in elements and structural diversity, which are an ideal
choice for lithium-ion batteries. However, most organic cathode materials show a trade-off …

Quantum chemistry-informed active learning to accelerate the design and discovery of sustainable energy storage materials

HA Doan, G Agarwal, H Qian, MJ Counihan… - Chemistry of …, 2020 - ACS Publications
We employed density functional theory (DFT) to compute oxidation potentials of 1400
homobenzylic ether molecules to search for the ideal sustainable redoxmer design. The …

Experimental validation of a computational screening approach to predict redox potentials for a diverse variety of redox-active organic molecules

AR McNeill, SE Bodman, AM Burney… - The Journal of …, 2020 - ACS Publications
Organic redox flow batteries are currently the focus of intense scientific interest because they
have the potential to be developed into low-cost, environmentally sustainable solutions to …

Tailored charge transfer kinetics in precursors for organic radical batteries: A joint synthetic‐theoretical approach

C Zens, C Friebe, US Schubert, M Richter… - …, 2023 - Wiley Online Library
The development of sustainable energy storage devices is crucial for the transformation of
our energy management. In this scope, organic batteries attracted considerable attention. To …

Environmentally benign batteries based on organic radical polymers

H Nishide, K Koshika, K Oyaizu - Pure and applied chemistry, 2009 - degruyter.com
A radical polymer is an aliphatic organic polymer bearing densely populated unpaired
electrons in the pendant robust radical groups per repeating unit. These radicals' unpaired …

A search map for organic additives and solvents applicable in high-voltage rechargeable batteries

MS Park, I Park, YS Kang, D Im, SG Doo - … Chemistry Chemical Physics, 2016 - pubs.rsc.org
Chemical databases store information such as molecular formulas, chemical structures, and
the physical and chemical properties of compounds. Although the massive databases of …

Designing strategies to tune reduction potential of organic molecules for sustainable high capacity battery application

RB Araujo, A Banerjee, P Panigrahi, L Yang… - Journal of Materials …, 2017 - pubs.rsc.org
Organic compounds evolve as a promising alternative to currently used inorganic materials
in rechargeable batteries due to their low-cost, environmental friendliness and flexibility …

Redox-active polymers: The magic key towards energy storage–a polymer design guideline progress in polymer science

P Rohland, E Schröter, O Nolte, GR Newkome… - Progress in Polymer …, 2022 - Elsevier
Renewable organic batteries represent a valuable option to store sustainably generated
energy and can play a major role in phasing out current carbon-based energy production …

Long‐Life and High‐Power Binder‐Free Cathode Based on One‐Step Synthesis of Radical Polymers with Multi‐Pendant Groups

Y Chen, Y Zhang, X Liu, X Fan, B Bai… - Macromolecular …, 2018 - Wiley Online Library
The main bottlenecks for the widespread application of radical polymers in organic radical
batteries are poor cycling stability, due to the dissolution of radical polymers into the …