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Diddo Diddens

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Articles 34
Citations 90
Followers 0
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Recent Articles
1.
Monsees F, Misiewicz C, Dalkilic M, Diddens D, Heuer A
Phys Chem Chem Phys . 2024 Dec; 27(2):834-843. PMID: 39660621
As the demand for high-energy batteries to power electric vehicles continues to grow, Ni-rich cathode materials have emerged as promising candidates due to their high capacity. However, these materials are...
2.
Mitra S, Zens C, Kupfer S, Diddens D
J Chem Phys . 2024 Dec; 161(21). PMID: 39625314
This research elucidates the intricate nature of electronic coupling in the redox-active (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO), commonly utilized in organic radical batteries. This study employs a combination of classical molecular dynamics and...
3.
Zhour K, Heuer A, Diddens D
J Chem Phys . 2024 Dec; 161(21). PMID: 39620410
To identify suitable polymer candidates for electrolytes in solid-state batteries, this study investigates the electrochemical behavior and decomposition pathways of four monomers involving esters, ethers, and carbonates via first-principles calculations....
4.
Scharf F, Krude A, Lennartz P, Clausnitzer M, Shukla G, Buchheit A, et al.
Small . 2024 Aug; 20(47):e2404537. PMID: 39185805
Lithium metal batteries operated with high voltage cathodes are predestined for the realization of high energy storage systems, where solid polymer electrolytes offer a possibility to improve battery safety. AlO_PCL...
5.
Hockmann A, Ackermann F, Diddens D, Cekic-Laskovic I, Schonhoff M
Faraday Discuss . 2024 Jul; 253(0):343-364. PMID: 39023226
The transport properties and the underlying coordination structure of a ternary electrolyte consisting of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), 1,2-dimethoxyethane (DME), and 1,3-dioxolane (DOL) is studied over a wide concentration range, up...
6.
Rivera-Pousa A, Otero-Mato J, Montes-Campos H, Mendez-Morales T, Diddens D, Heuer A, et al.
Macromolecules . 2024 May; 57(9):3921-3936. PMID: 38765500
Polymer-based solid-like gel electrolytes have emerged as a promising alternative to improve battery performance. However, there is a scarcity of studies on the behavior of these media at the electrochemical...
7.
Daniel D, Mitra S, Eichel R, Diddens D, Granwehr J
J Chem Theory Comput . 2024 Mar; 20(6):2592-2604. PMID: 38456629
Methods for electronic structure computations, such as density functional theory (DFT), are routinely used for the calculation of spectroscopic parameters to establish and validate structure-parameter correlations. DFT calculations, however, are...
8.
Mitra S, Heuer A, Diddens D
Phys Chem Chem Phys . 2024 Jan; 26(4):3020-3028. PMID: 38179667
In this study, we delve into the complex electron transfer reactions associated with the redox-active (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO), a common component in organic radical batteries (ORBs). Our approach estimates quantum electron-transfer...
9.
Maiti M, Krishnamoorthy A, Mabrouk Y, Mozhzhukhina N, Matic A, Diddens D, et al.
Phys Chem Chem Phys . 2023 Jul; 25(30):20350-20364. PMID: 37465859
Liquid electrolyte design and modelling is an essential part of the development of improved lithium ion batteries. For mixed organic carbonates (ethylene carbonate (EC) and ethyl-methyl carbonate (EMC) mixtures)-based electrolytes...
10.
Daniel D, Oevermann S, Mitra S, Rudolf K, Heuer A, Eichel R, et al.
Sci Rep . 2023 Jul; 13(1):10934. PMID: 37414786
Organic radical batteries (ORBs) represent a viable pathway to a more sustainable energy storage technology compared to conventional Li-ion batteries. For further materials and cell development towards competitive energy and...