| Reorganization energy upon charging a single molecule on an insulator measured by atomic force microscopy S Fatayer, B Schuler, W Steurer, I Scivetti, J Repp, L Gross, M Persson, ... Nature nanotechnology 13 (5), 376-380, 2018 | 106 | 2018 |
| Investigating atomic contrast in atomic force microscopy and Kelvin probe force microscopy on ionic systems using functionalized tips L Gross, B Schuler, F Mohn, N Moll, N Pavliček, W Steurer, I Scivetti, ... Physical Review B 90 (15), 155455, 2014 | 82 | 2014 |
| Manipulation of the charge state of single Au atoms on insulating multilayer films W Steurer, J Repp, L Gross, I Scivetti, M Persson, G Meyer Physical Review Letters 114 (3), 036801, 2015 | 73 | 2015 |
| Structure and oxygen evolution activity of β-NiOOH: where are the protons? Q Hu, Y Xue, J Kang, I Scivetti, G Teobaldi, A Selloni, L Guo, LM Liu ACS Catalysis 12 (1), 295-304, 2021 | 41 | 2021 |
| Chemically selective alternatives to photoferroelectrics for polarization‐enhanced photocatalysis: the untapped potential of hybrid inorganic nanotubes JD Elliott, E Poli, I Scivetti, LE Ratcliff, L Andrinopoulos, J Dziedzic, ... Advanced Science 4 (2), 1600153, 2016 | 33 | 2016 |
| (Sub)surface-Promoted Disproportionation and Absolute Band Alignment in High-Power LiMn2O4 Cathodes I Scivetti, G Teobaldi The Journal of Physical Chemistry C 119 (37), 21358-21368, 2015 | 31 | 2015 |
| Charge-state-dependent diffusion of individual gold adatoms on ionic thin NaCl films J Repp, W Steurer, I Scivetti, M Persson, L Gross, G Meyer Physical Review Letters 117 (14), 146102, 2016 | 27 | 2016 |
| Frontier molecular orbitals of a single molecule adsorbed on thin insulating films supported by a metal substrate: electron and hole attachment energies I Scivetti, M Persson Journal of Physics: Condensed Matter 29 (35), 355002, 2017 | 18 | 2017 |
| Reversible spin storage in metal oxide—fullerene heterojunctions T Moorsom, M Rogers, I Scivetti, S Bandaru, G Teobaldi, M Valvidares, ... Science advances 6 (12), eaax1085, 2020 | 17 | 2020 |
| The electrostatic interaction of an external charged system with a metal surface: a simplified density functional theory approach I Scivetti, M Persson Journal of Physics: Condensed Matter 25 (35), 355006, 2013 | 14 | 2013 |
| Quantitative resolution of complex stoichiometric changes during electrochemical cycling by density functional theory-assisted electrochemical quartz crystal microbalance TH Wu, I Scivetti, JC Chen, JA Wang, G Teobaldi, CC Hu, LJ Hardwick ACS Applied Energy Materials 3 (4), 3347-3357, 2020 | 13 | 2020 |
| A simplified density functional theory method for investigating charged adsorbates on an ultrathin, insulating film supported by a metal substrate I Scivetti, M Persson Journal of Physics: Condensed Matter 26 (13), 135003, 2014 | 10 | 2014 |
| Effect of quantization of vibrations on the structural properties of crystals I Scivetti, N Gidopoulos, J Kohanoff Physical Review B—Condensed Matter and Materials Physics 78 (22), 224108, 2008 | 9 | 2008 |
| Toggling the local electric field with an embedded adatom switch W Steurer, B Schuler, N Pavlicek, L Gross, I Scivetti, M Persson, G Meyer Nano Letters 15 (8), 5564-5568, 2015 | 7 | 2015 |
| General local and rectilinear vibrational coordinates consistent with Eckart’s conditions I Scivetti, J Kohanoff, NI Gidopoulos Physical Review A—Atomic, Molecular, and Optical Physics 79 (3), 032516, 2009 | 7 | 2009 |
| Reactive molecular dynamics at constant pressure via nonreactive force fields: extending the Empirical Valence Bond method to the isothermal-isobaric ensemble I Scivetti, K Sen, AM Elena, I Todorov The Journal of Physical Chemistry A 124 (37), 7585-7597, 2020 | 6 | 2020 |
| The role of isotropic and anisotropic Hubbard corrections for the magnetic ordering and absolute band alignment of hematite α-Fe2O3 (0001) surfaces S Bandaru, I Scivetti, CY Yam, G Teobaldi Progress in Natural Science: Materials International 29 (3), 349-355, 2019 | 5 | 2019 |
| Self-consistent geometry in the computation of the vibrational spectra of molecules I Scivetti, J Kohanoff, N Gidopoulos Physical Review A—Atomic, Molecular, and Optical Physics 80 (2), 022516, 2009 | 5 | 2009 |
| On the treatment of singularities of the Watson Hamiltonian for nonlinear molecules I Scivetti, J Kohanoff, NI Gidopoulos International Journal of Quantum Chemistry 111 (2), 307-317, 2011 | 3 | 2011 |
| ALC_EQCM: Automated stoichiometric resolution in electrochemistry through Density Functional Theory aided, Electrochemical Quartz Crystal Microbalance I Scivetti, G Teobaldi Computational Materials Science 218, 111968, 2023 | 2 | 2023 |
Mats PerssonDepartment of Chemistry, The University of LiverpoolVerified email at liv.ac.uk