19 citations · 73 across the 10 of their papers we have counts for
13 papers
Fundamental picture of the conduction mechanism in solid-state polymer electrolytes revealed by terahertz spectroscopy
Johanna Weidelt, Jijeesh Ravi Nair, Diddo Diddens +9
Solid polymer electrolytes (SPEs) based on cross-linked poly(ethylene oxide) (PEO) encompassing lithium salts have gained significant attention as separators in solid-state lithium…
Exploring nonlinear ion dynamics in polymer electrolytes from the perspective of hopping models
Alina Wettstein, Diddo Diddens, Andreas Heuer
Relevant information about the nature of the dynamics of ions in electrolytes can be obtained by studying the nonlinear dependence on an applied electric field. Here we use molecul…
Insights into Polymer Electrolyte Stability and Reaction Pathways: A first-principle calculations study
Kazem Zhour, Andreas Heuer, Diddo Diddens
This study investigates the electrochemical behavior and decomposition pathways of four monomers, namely PMC, PMC-OH, PeMC-OH, and DEO-EA, which are potential candidates for polyme…
Hydrodynamic Interactions in Ion Transport -- Theory and Simulation
Diddo Diddens, Andreas Heuer
We present a hydrodynamic theory describing pair diffusion in systems with periodic boundary conditions, thereby generalizing earlier work on self-diffusion [Dünweg and Kremer, J.…
Structure and transport properties of poly(ethylene oxide) based cross-linked polymer electrolytes -- A Molecular Dynamics Simulations study
Mirko Fischer, Andreas Heuer, Diddo Diddens
We present an extensive molecular dynamics (MD) simulation study of poly(ethylene oxide) (PEO) based densely cross-linked polymers, focussing on structural properties as well as th…
Are Weakly Coordinating Anions Really the Holy Grail of Ternary Solid Polymer Electrolytes Plasticized by Ionic Liquids? Coordinating Anions to the Rescue of the Lithium Ion Mobility
Jan-Philipp Hoffknecht, Alina Wettstein, Jaschar Atik +7
Lithium salts with low coordinating anions like bis(trifluoromethanesulfonyl)imide (TFSI) have been the state-of-the-art for PEO-based 'dry' polymer electrolytes for three decades.…
Controlling transport in ionic liquid electrolytes through salt content and anion asymmetry: A mechanistic understanding gained from molecular dynamics simulations
Alina Wettstein, Diddo Diddens, Andreas Heuer
In this work, we report the results from molecular dynamics simulations of lithium salt-ionic liquid electrolytes (ILEs) based either on the symmetric bis[(trifluoromethyl)sulfonyl…
Polymer electrolytes in strong external electric fields: Modification of structure and dynamics
Alina Wettstein, Diddo Diddens, Andreas Heuer
We present the results from an extensive atomistic molecular dynamics simulation study of poly(ethylene oxide) (PEO) doped with various amounts of lithium-bis(trifluoromethane)sulf…
Impact of Charged Surfaces on the Structure and Dynamics of Polymer Electrolytes: Insights from Atomistic Simulations
Andreas Thum, Diddo Diddens, Andreas Heuer
Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structu…
Understanding the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes on a Microscopic Level
Len Kimms, Diddo Diddens, Andreas Heuer
Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolyme…
A Simulation Study of the Lithium Ion Transport Mechanism in Ternary Polymer Electrolytes - The Critical Role of the Segmental Mobility
Diddo Diddens, Andreas Heuer
We present an extensive molecular dynamics (MD) simulation study of the lithium ion transport in ternary polymer electrolytes consisting of poly(ethylene oxide) (PEO), lithium-bis(…
Chain End Mobilities in Polymer Melts - A Computational Study
Diddo Diddens, Andreas Heuer
The Rouse model can be regarded as the standard model to describe the dynamics of a short polymer chain under melt conditions. In this contribution, we explicitly check one of the…
Lithium Ion Transport Mechanism in Ternary Polymer Electrolyte-Ionic Liquid Mixtures - A Molecular Dynamics Simulation Study
Diddo Diddens, Andreas Heuer
The lithium transport mechanism in ternary polymer electrolytes, consisting of PEO/LiTFSI and various fractions of the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluorometh…