Donato Fantauzzi
Donato Fantauzzi
Science Institute and Faculty of Physical Sciences, University of Iceland, 107 Reykjavík, Iceland
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Cited by
Reactive forcefield for simulating gold surfaces and nanoparticles
JA Keith, D Fantauzzi, T Jacob, ACT Van Duin
Physical Review B 81 (23), 235404, 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
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
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
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
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
First principles studies of self-diffusion processes on metallic lithium surfaces
D Gaissmaier, D Fantauzzi, T Jacob
The Journal of chemical physics 150 (4), 041723, 2019
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
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
Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts
M Dave, A Rajagopal, M Damm-Ruttensperger, B Schwarz, F Nägele, ...
Sustainable Energy & Fuels 2 (5), 1020-1026, 2018
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
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
Multiscale modeling of electrochemical systems
JE Mueller, D Fantauzzi, T Jacob
Electrocatalysis 14, 1-74, 2013
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
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
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
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
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
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
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
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