Discovery of lead low-potential radical candidates for organic radical polymer batteries with machine-learning-assisted virtual screening
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 …
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
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 …
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
We employed density functional theory (DFT) to compute oxidation potentials of 1400
homobenzylic ether molecules to search for the ideal sustainable redoxmer design. The …
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 …
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 …
our energy management. In this scope, organic batteries attracted considerable attention. To …
Environmentally benign batteries based on organic radical polymers
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 …
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
Chemical databases store information such as molecular formulas, chemical structures, and
the physical and chemical properties of compounds. Although the massive databases of …
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
Organic compounds evolve as a promising alternative to currently used inorganic materials
in rechargeable batteries due to their low-cost, environmental friendliness and flexibility …
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 …
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 …
batteries are poor cycling stability, due to the dissolution of radical polymers into the …
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