Publikationen

  • Development and Validation of a ReaxFF Reactive Force Field for Modeling Silicon–Carbon Composite Anode Materials in Lithium-Ion Batteries

    Stéphane B. Olou’ou Guifo, Jonathan E. Mueller*, Diana van Duin, Mahdi K. Talkhoncheh, Adri C. T. van Duin, David Henriques, and Torsten Markus

    J. Phys. Chem. C 2023, 127, 6, 2818–2834

    doi.org/10.1021/acs.jpcc.2c07773

    Zur Publikation

  • First-principles calculations of bulk, surface and interfacial phases and properties of silicon graphite composites as anode materials for lithium ion batteries

    Stéphane B. Olou’ou Guifo, Jonathan E. Mueller, David Henriques and Torsten Markus

    Phys. Chem. Chem. Phys., 2022,24, 9432-9448

    doi: 10.1039/d1cp05414g

    zur Publikation

  • Effects of carbon impurities on the performance of silicon as an anode material for lithium ion batteries: An ab initio study

    Stéphane B. Olou’ou Guifo, Jonathan E. Mueller, David Henriques, and Torsten Markus

    AIP Advances, Volume 12, Issue 3, 2022

    doi:10.1063/5.0079945

    zur Publikation

  • Experimental thermodynamic investigation of the liquid Cu-Li-Sn system by Knudsen Effusion Mass Spectrometry

    Bencze, L.; Henriques, D.; Motalov, V.; Kovács, Á. Kolay; Markus, T.

    Calphad, 2019, S.132–140

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Investigation of the heat generation of a commercial 2032 (LiCoO2) coin cell with a novel differential scanning battery calorimeter

    Giel, Hans; Henriques, David; Bourne, George; Markus, Torsten

    Journal of Power Sources, 2018, S. 116–126

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • A thermodynamic investigation of the Li–Sb system

    A. Beutl, D. Henriques, V. Motalov, D. Cupid, T. Markus & H. Flandorfer

    J Therm Anal Calorim (Journal of Thermal Analysis and Calorimetry), 2018, Heftnummer 3, S. 2673–2686

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Interlaboratory study of the heat capacity of LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC111) with layered structure

    Cupid, Damian M.; Gotcu, Petronela; Beutl, Alexander; Bergfeldt, Thomas; Giel, Hans; Henriques, David; Kozlov, Artem; Masoumi, Maryam; Seidel, Jürgen; Flandorfer, Hans; Markus, Torsten; Mertens, Florian; Schmid-Fetzer, Rainer; Seifert, Hans J.

    IJMR (International Journal of Materials Research), 2017

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Phase diagram, thermodynamic investigations, and modelling of systems relevant to lithium-ion batteries

    Fürtauer, Siegfried; Li, Dajian; Henriques, David; Beutl, Alexander; Giel, Hans; Cupid, Damian; Markus, Thorsten; Flandorfer, Hans

    IJMR (International Journal of Materials Research), 2017, Heftnummer 11, S. 887–903

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Investigations of the Li 8 Sn 3 Phase in the Binary Li-Sn System Using an Improved Coulometric-Titration Setup

    Giel, Hans; Henriques, David; Markus, Torsten

    J. Electrochem. Soc. (Journal of The Electrochemical Society), 2017, Heftnummer 4, S. A907-A911

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Experimental thermodynamic study of the Cu-Li-Sn system by Knudsen Effusion Mass Spectrometry

    Henriques, D.; Motalov, V.; Bencze, L.; Fürtauer, S.; Flandorfer, H.; Markus, T.

    Journal of Alloys and Compounds, 2016

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Thermodynamic modelling of Li–Sn liquid alloy based on Knudsen effusion mass spectrometric measurements

    Bencze, L.; Henriques, D.; Motalov, V.; Markus, T.

    Journal of Alloys and Compounds, 2014, S. 183–192

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation

  • Sintering behaviour of La1−xSrxCo0.2Fe0.8O3−δ () mixed conducting materials

    Möbius, A.; Henriques, D.; Markus, T.

    Journal of the European Ceramic Society, 2009, Heftnummer 13, S. 2831–2839

    doi:10.1016/j.nedt.2008.07.004

    zur Publikation