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Donato Fantauzzi
Donato Fantauzzi
Science Institute and Faculty of Physical Sciences, University of Iceland, 107 Reykjavík, Iceland
Verified email at hi.is
Title
Cited by
Cited by
Year
Reactive forcefield for simulating gold surfaces and nanoparticles
JA Keith, D Fantauzzi, T Jacob, ACT Van Duin
Physical Review B 81 (23), 235404, 2010
832010
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
712014
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
512017
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
512015
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
482015
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
472017
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
382019
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
262020
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
252018
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
252018
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
222014
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
212011
Multiscale modeling of electrochemical systems
JE Mueller, D Fantauzzi, T Jacob
Electrocatalysis 14, 1-74, 2013
192013
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
172020
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
132015
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
132011
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
112017
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
92010
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
52009
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
42021
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