Jonathan E. Mueller
Volkswagen
53 Papers
204 Citations
Jonathan E. Mueller is an academic researcher from Volkswagen. The author has contributed to research in topics: ReaxFF & Chemistry. The author has an hindex of 18, co-authored 45 publications. Previous affiliations of Jonathan E. Mueller include California Institute of Technology & University of Ulm.
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Papers
Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel
TL;DR: In this article, the ReaxFF reactive force field was developed to describe adsorption, decomposition, reformation and desorption of hydrocarbons as they interact with the nickel surface.
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Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition
TL;DR: In this paper, the ReaxFF reactive force field was used to simulate the adsorption and decomposition of a gas of 20−120 methane, ethyne, ethene, benzene, cyclohexane, or propene molecules interacting with a 21 A diameter nickel nanoparticle (468 atoms).
168
A Porphyrin Complex as a Self-Conditioned Electrode Material for High-Performance Energy Storage
Ping Gao,Zhi Chen,Zhirong Zhao-Karger,Jonathan E. Mueller,Christoph Jung,Svetlana Klyatskaya,Thomas Diemant,Olaf Fuhr,Timo Jacob,R. Jürgen Behm,Mario Ruben,Mario Ruben,Maximilian Fichtner +12 more
TL;DR: The novel functionalized porphyrin [5,15-bis(ethynyl)-10,20-diphenylporphinato]copper(II) (CuDEPP) was used as electrodes for rechargeable energy-storage systems with an extraordinary combination of storage capacity, rate capability, and cycling stability, opening a pathway toward new organic electrodes with excellent rate capability and cyclic stability.
133
Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111).
TL;DR: The surface buckling and subsurface oxygen observed here influence the surface oxidation process, and are expected to impact the (electro)catalytic properties of partially oxidized Pt(111) surfaces.
60
Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
Zhirong Zhao-Karger,Jonathan E. Mueller,Xiangyu Zhao,Xiangyu Zhao,Olaf Fuhr,Timo Jacob,Maximilian Fichtner +6 more
TL;DR: In this paper, a simple strategy for the synthesis of electrolyte solutions comprised of binuclear magnesium aluminate complexes without the need for organomagnesium compounds is established, and as-prepared phenolate based electrolyte exhibits an anodic stability of up to 3.4 V, good ionic conductivity and air-stability.
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