| Reactive forcefield for simulating gold surfaces and nanoparticles JA Keith, D Fantauzzi, T Jacob, ACT Van Duin Physical Review B 81 (23), 235404, 2010 | 89 | 2010 |
| Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation D Fantauzzi, J Bandlow, L Sabo, JE Mueller, ACT van Duin, T Jacob Physical Chemistry Chemical Physics 16 (42), 23118-23133, 2014 | 82 | 2014 |
| Growth of Stable Surface Oxides on Pt (111) at Near‐Ambient Pressures D Fantauzzi, S Krick Calderón, JE Mueller, M Grabau, C Papp, ... Angewandte Chemie International Edition 56 (10), 2594-2598, 2017 | 58 | 2017 |
| Surface buckling and subsurface oxygen: atomistic insights into the surface oxidation of Pt (111) D Fantauzzi, JE Mueller, L Sabo, ACT Van Duin, T Jacob ChemPhysChem 16 (13), 2797-2802, 2015 | 57 | 2015 |
| Enhanced capacitive energy storage in polyoxometalate‐doped polypyrrole S Herrmann, N Aydemir, F Nägele, D Fantauzzi, T Jacob, J Travas‐Sejdic, ... Advanced Functional Materials 27 (25), 1700881, 2017 | 56 | 2017 |
| Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field CCW Verlackt, EC Neyts, T Jacob, D Fantauzzi, M Golkaram, YK Shin, ... New Journal of Physics 17 (10), 103005, 2015 | 53 | 2015 |
| First principles studies of self-diffusion processes on metallic lithium surfaces D Gaissmaier, D Fantauzzi, T Jacob The Journal of chemical physics 150 (4), 2019 | 44 | 2019 |
| Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts M Dave, A Rajagopal, M Damm-Ruttensperger, B Schwarz, F Naegele, ... Sustainable Energy & Fuels 2 (5), 1020-1026, 2018 | 39 | 2018 |
| Simulations of the oxidation and degradation of platinum electrocatalysts B Kirchhoff, L Braunwarth, C Jung, H Jónsson, D Fantauzzi, T Jacob Small 16 (5), 1905159, 2020 | 32 | 2020 |
| Molybdenum doping augments platinum–copper oxygen reduction electrocatalyst Y Luo, B Kirchhoff, D Fantauzzi, L Calvillo, LA Estudillo‐Wong, ... ChemSusChem 11 (1), 193-201, 2018 | 30 | 2018 |
| Synthesis, electrochemical characterization and molecular dynamics studies of surface segregation of platinum nano-alloy electrocatalysts E Favry, D Wang, D Fantauzzi, J Anton, DS Su, T Jacob, N Alonso-Vante Physical Chemistry Chemical Physics 13 (20), 9201-9208, 2011 | 23 | 2011 |
| Microscopic properties of Na and Li—a first principle study of metal battery anode materials D Gaissmaier, M van den Borg, D Fantauzzi, T Jacob ChemSusChem 13 (4), 771-783, 2020 | 20 | 2020 |
| Topologically sensitive surface segregations of Au–Pd alloys in electrocatalytic hydrogen evolution M Okube, V Petrykin, JE Mueller, D Fantauzzi, P Krtil, T Jacob ChemElectroChem 1 (1), 207-212, 2014 | 20 | 2014 |
| Multiscale modeling of electrochemical systems JE Mueller, D Fantauzzi, T Jacob Electrocatalysis 14, 1-74, 2013 | 20 | 2013 |
| Microkinetic modeling of the oxygen reduction reaction at the Pt (111)/gas interface D Fantauzzi, T Zhu, JE Mueller, IAW Filot, EJM Hensen, T Jacob Catalysis Letters 145, 451-457, 2015 | 18 | 2015 |
| On the platinum-oxide formation under gas-phase and electrochemical conditions A Farkas, D Fantauzzi, JE Mueller, T Zhu, C Papp, HP Steinrück, T Jacob Journal of Electron Spectroscopy and Related Phenomena 221, 44-57, 2017 | 16 | 2017 |
| Multiscale modeling of Au-island ripening on Au (100) K Kleiner, A Comas-Vives, M Naderian, JE Mueller, D Fantauzzi, ... Adv. Phys. Chem 252591, 2011 | 13 | 2011 |
| Assessment of the accuracy of density functionals for calculating oxygen reduction reaction on nitrogen-doped graphene B Kirchhoff, A Ivanov, E Skúlason, T Jacob, D Fantauzzi, H Jónsson Journal of Chemical Theory and Computation 17 (10), 6405-6415, 2021 | 11 | 2021 |
| Nanoscale-faceting of metal surfaces induced by adsorbates P Kaghazchi, D Fantauzzi, J Anton, T Jacob Physical Chemistry Chemical Physics 12 (31), 8669-8684, 2010 | 9 | 2010 |
| Two-dimensional assembly of magnetic binuclear complexes: A scanning tunneling microscopy study F Mögele, D Fantauzzi, U Wiedwald, P Ziemann, B Rieger Langmuir 25 (23), 13606-13613, 2009 | 6 | 2009 |
Jonathan E. MuellerSenior researcher, Volkswagen AGVerified email at volkswagen.de
