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骋谤别苍锄蹿濒盲肠丑别苍肠丑别尘颈别

Elektrochemische Energiespeicherung

Wirtschaftschemie

Chemieinformationssysteme

Mohsen Sotoudeh, Sebastian Baumgart, Manuel Dillenz, Johannes D枚hn, Katrin Forster-Tonigold, Katharina Helmbrecht, Daniel Stottmeister, and Axel 骋谤辞脽, Ion mobility in crystalline battery materials, Adv. Energy Mater. 14, 202302550 (2024), Open Access, DOI: 10.1002/aenm.202302550

Majid Rezaei, Sung Sakong, and Axel 骋谤辞脽, Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations, J. Chem. Theory Comput. 19, 5712鈥�5730 (2023), DOI: 10.1021/acs.jctc.3c00171

Katrin Forster-Tonigold, Florian Buchner, Joachim Bansmann, R. J眉rgen Behm, Axel 骋谤辞脽, A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium, Batteries Supercaps, accepted for publication, DOI: 10.1002/batt.202200307

Axel 骋谤辞脽, Reversible vs. standard hydrogen electrode scale in interfacial electrochemistry from a theoretician's atomistic point of view, J. Phys. Chem. C 126, 11439鈥�11446 (2022) Perspective, Open Access, DOI: 10.1021/acs.jpcc.2c02734

Axel 骋谤辞脽 and Sung Sakong, Ab initio simulations of water/metal interfaces, Chem. Rev. 122 , 10746鈥�10776 (2022), DOI: 10.1021/acs.chemrev.1c00679 .

Manuel Dillenz, Mohsen Sotoudeh, Clarissa Glaser, J眉rgen Janek, Axel 骋谤辞脽, Holger Euchner, Unravelling charge carrier mobility in d0-metal-based spinels, Batteries & Supercaps 5, e202200164 (2022), DOI: 10.1002/batt.202200164

Florian Buchner, Katrin Forster-Tonigold, Tim Bolter, Alexander Rampf, Jens Klein, Axel 骋谤辞脽, R. J眉rgen Behm, Interaction of Mg with the Ionic Liquid BMP-TFSI 鈥� An Experimental and Computational Model Study of the Electrode 鈥� Electrolyte Interface in Post-Lithium Batteries, J. Vac. Sci. Technol. A 40, 023204 (2022), DOI: 10.1116/6.0001658

Mohsen Sotoudeh and Axel 骋谤辞脽, Descriptor and scaling relations for ion mobility in crystalline solids, JACS Au 2, 463鈥�471 (2022), DOI: 10.1021/jacsau.1c00505, Open Access

Mohsen Sotoudeh, Manuel Dillenz, and Axel 骋谤辞脽, Mechanism of magnesium transport in spinel chalcogenides, Adv. Energy Sustainability Res. 2, 2100113 (2021).

Yanjiao Ma, Yuan Ma, Holger Euchner, Xu Liu, Huang Zhang, Bingsheng Qin, Dorin Geiger, Johannes Biskupek, Anna Carlsson, Ute Kaiser, Axel 骋谤辞脽, Stefano Passerini, and Dominic Bresser, An alternative charge storage mechanism for high-performance sodium-ion and potassium-ion anodes, ACS Energy Lett. 6, 915-924 (2021), DOI: 10.1021/acsenergylett.0c02365

David Mahlberg and Axel Gro尾, Vacancy assisted diffusion on single-atom surface alloys, ChemPhysChem 22, 29-39 (2021), DOI: 10.1002/cphc.202000838, Open Access

Sung Sakong, David Mahlberg, Tanglaw Roman, Mengru Li, Mohnish Pandey, and Axel Gro尾, Influence of Local Inhomogeneities and the Electrochemical Environment on the Oxygen Reduction Reaction on Pt-based Electrodes: A DFT Study, J. Phys. Chem. C, 124, 27604-27613 (2020).

Sung Sakong, Ann-Kathrin Hen脽, Joost Wintterlin, and Axel 骋谤辞脽, Diffusion on a crowded surface: kMC simulations, J. Phys. Chem. C 124, 15216-15224 (2020).

Yanjiao Ma, et int., Holger Euchner, Axel 骋谤辞脽, et int., Stefano Passerini, and Dominic Bresser, Introducing highly redox-active atomic centers into insertion-type electrodes for Lithium-ion batteries, Adv. Energy Mater. 10, 2000783 (2020)

Daniel Stottmeister and Axel 骋谤辞脽, Strain Dependence of Metal Anode Surface Properties, ChemSusChem 13, 3147-3153 (2020), DOI: 10.1002/cssc.202000709

Sung Sakong and Axel 骋谤辞脽, Water structures on a Pt(111) electrode from ab initio molecular dynamics simulations for a variety of electrochemical conditions, Phys. Chem. Chem. Phys. 22, 10431-10437 (2020).

M. Anji Reddy, M. Helen, A. 骋谤辞脽, Maximilian Fichtner, Holger Euchner, Insight into Sodium Insertion and Storage Mechanism in Hard Carbon, ACS Energy Lett. 3, 2851-2857 (2018).

Markus J盲ckle, Katharina Helmbrecht, Malte Smits, Daniel Stottmeister, and A. 骋谤辞脽, Self-Diffusion Barriers: Possible Descriptors for Dendrite Growth in Batteries?, Energy Environ. Sci. 11, 3400-3407 (2018).

Mohammad Javad Eslamibidgoli, Axel 骋谤辞脽, and Michael Eikerling, Surface configuration and wettability of nickel (oxy)hydroxides: a first principles investigation, PhysChemChemPhys 19, 22659-22669 (2017).

Axel 骋谤辞脽 and Ludwig A. Kibler, Elementary reaction steps in Electrocatalysis: Theory meets experiment, Foreword of a Special Issue of Electrocatalysis, Electrocatal. 8, 499-500 (2017).

Julia M. Fischer, David Mahlberg, Tanglaw Roman, and Axel Gro脽, Water adsorption on bimetallic PtRu/Pt(111) surface alloys, Proc. R. Soc. A 472, 20160618 (2016).

Sung Sakong, Katrin Forster-Tonigold, and Axel 骋谤辞脽, The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles, J. Chem. Phys. 144, 194701 (2016).

S. Sakong, C. Mosch, A. Lozano, H.F. Busnengo, and A. 骋谤辞脽, Lowering reaction barriers in surface reactions through concerted reaction mechanisms, ChemPhysChem 13, 3467鈥�3471 (2012).

Bachelor-, Master- und Doktorarbeiten

Wenn Sie Lust haben,

an brandaktuellen Fragen der theoretischen Oberfl盲chenchemie und Elektrochemie zu forschen,
mit modernen Methoden der Dichtefunktionaltheorie (Nobelpreis f眉r Chemie an Walter Kohn 1998) Elektronenstrukturrechnungen an Oberfl盲chen, Brennstoffzelle und Batterie durchzuf眉hren,
mit Hilfe von ab initio Computersimulationen die Dynamik von chemischen und elektrochemischen Reaktionen zu untersuchen,
in einem etablierten Team mit internationalen Kontakten mitzuarbeiten,
die Reize Ulms und seiner Umgebung auszunutzen,

dann sollten Sie 眉berlegen, in unserer Arbeitsgruppe anzufangen. Bitte wenden Sie Sich an Axel 骋谤辞脽, um Einzelheiten zu erfahren. 脺ber unsere Forschungsschwerpunkte k枚nnen Sie Sich einen ersten Eindruck durch unsere Web-Seiten verschaffen.

Anreise / Directions

Kontakt

Prof. Dr. Axel 骋谤辞脽

Institutsdirektor

Institut f眉r Theoretische Chemie

Universit盲t Ulm
Institut f眉r Theoretische Chemie
Mez-Starck-Haus
Oberberghof 7

89081 Ulm

Deutschland

axel.gross(at)uni-ulm.de

BMS/3007

+49(0)731/50-22810

CV A. 骋谤辞脽