@AxelGro4

Theoretical chemist studying interfacial chemistry, professor at Ulm University, Co-spokesperson of the Cluster of Excellence POLiS

 Ulm University
uni-ulm.de/theochem
Joined September 2020
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  • Followers485
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All you ever wanted to know about ion mobility in solids: Have a look at our recent review in Advanced Energy Materials @uni_ulm @ClusterPolis #OpenAccess at doi.org/10.1002/aenm.2023025…

Ion Mobility in Crystalline Battery Materials

Ion mobility is a critical performance parameter in electrochemical devices. In crystalline materials, ion migration typically occurs via hopping between two local minima. In this review, chemical...

advanced.onlinelibrary.wiley.com
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Unraveling Propylene Oxide Formation in Alkali Metal Batteries (Axel Gross and co-workers) @AxelGro4 @JuMaibach #OpenAccess thanks to #ProjektDEAL onlinelibrary.wiley.com/doi/…
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I am happy to share a link for free access until Sept. 1, 2023 to my Current Opinion on AIMD simulations of electrochemical interfaces. Note the insights that can be gained but also the problems associated with modeling electrochemical interfaces authors.elsevier.com/a/1hPuX…
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Einladung in die Mez-Starck-Lounge: Studierende der @uni_ulm , die von der Dr. Barbara Mez-Starck Stiftung mez-starck-stiftung.de/ mit einem Deutschlandstipendium unterstützt werden, informieren sich über die Projektförderung der Stiftung in der nachhaltigen Energieforschung
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It is very nice to be with some members of the Institute of Theoretical Chemistry @uni_ulm and @ClusterPolis at the Spring Meeting of the German Physical Society in the beautiful city of Dresden (but it is still cold)!
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Register (soon!) for the 787. WE-Heraeus-Seminar on Accelerated Discovery of New Materials! we-heraeus-stiftung.de/veran…
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There is a open Post Doc / Group leader position at my research group Elementary Processes at the HIU @HelmholtzUlm . For further information, see uni-ulm.de/fileadmin/website… Join our team doing exciting theoretical research in electrochemical energy storage and conversion!
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Again I am happy to share a link for free access, until April 25, 2023, this time to the nice multi-scale @ClusterPolis work of Tao @KITKarlsruhe and Mohsen @uni_ulm addressing the evolution of NaFePO particles for Na-ion batteries authors.elsevier.com/c/1giEc…
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There are up to 50 free e-prints of the nice recent work of Jun @fz_juelich, Sung @uni_ulm @CELEST_18 and co-workers on the comparison between AIMD and semiclassical grand canonical simulations of electric double layers available at pubs.acs.org/articlesonreque…
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I am happy to share a link for free access until April 15, 2023 to the recent nice comprehensive review by Anik, Putra @uni_ulm @cata_light and coworkers on sensitizers/dyes for dye sensitized solar cells at authors.elsevier.com/c/1gepx…
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On behalf of the Dr. Barbara Mez-Starck foundation mez-starck-stiftung.de/en/fo…, I am proud to congratulate the awardees of the #Deutschlandstipendium supported by the foundation who study physics, chemistry or chemical engineering at @uni_ulm
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All you ever wanted to know about sensitizers and dyes for dye sensitized solar cells, you find at this comprehensive review by Anik, Putra @putra_1994 @uni_ulm and others, partially supported by the TRR234 @cata_light . Nice work! doi.org/10.1016/j.dyepig.202…
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I am happy to share this free link authors.elsevier.com/a/1g8LI… to my recent Opinion on „Challenges in the modeling of elementary steps in electrocatalysis“ which just got published in Current Opinion in Electrochemistry 37 (2023) 101170
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Congratulations to Rasmus Kronberg for his successful PhD defense @AaltoUniversity based on his excellent thesis on the dynamics of electrified interfaces supervised by Kari Laasonen. It was an honor to be the opponent in this defense!
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The new home of the Institute of Theoretical Chemistry @uni_ulm and the working group Chemical Information Systems headed by @AxelGro4 and sponsored by the Mez-Starck-Foundation: come and visit us in this beautiful building
Universität Ulm@uni_ulm28 Oct 2022
Auf dem #Campus der #uulm ist das neue Büro- und Seminargebäude „Barbara Mez-Starck-Haus“ feierlich eröffnet worden. In den energieeffizienten #Neubau, den die gleichnamige #Stiftung finanzierte, ziehen mehrere Uni-Einrichtungen. *stg/📸: Eberhardt uni-ulm.de/nawi/naturwissens…
Außenansicht Barbara Mez-Starck-Haus

ALT Außenansicht Barbara Mez-Starck-Haus

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See Behnaz’ nice computational first-principles work @uni_ulm @AxelGro4 @CELEST_18, funded by #DFG, using the Blue Moon ensemble, shedding light on solvation, diffusion and transformation of Li+ and LiO2 in Li-air batteries sciencedirect.com/science/ar…
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Many thanks to this wonderful crowd attending the workshop on „Computational Modelling of Batteries“ at Castle Reisensburg, supported by @ClusterPolis #DFG @Psik_Network, including the singing to a piano after the conference dinner long after midnight.
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Another nice work by Mohsen @Mohsen_So2deh @ClusterPolis @uni_ulm @AxelGro4 on how the electrochemical stability of electrode and coating materials can be predicted from first principles, just published in JPCL pubs.acs.org/doi/10.1021/acs…

Stability of Magnesium Binary and Ternary Compounds for Batteries Determined from First Principles

Abstract. Electrochemical stability is a critical performance parameter for the materials used as electrolytes and electrodes in batteries. Using first-pri

pubs.acs.org
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2nd day of a workshop in a real castle on „Computational modelling of batteries: First-principles quantum chemistry meets continuum approaches“, supported by @ClusterPolis @dfg_public @Psik_Network with lots of inspiring talks from two different communities.
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