| Water at interfaces O Björneholm, MH Hansen, A Hodgson, LM Liu, DT Limmer, ... Chemical reviews 116 (13), 7698-7726, 2016 | 733 | 2016 |
| Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures G Tocci, L Joly, A Michaelides Nano letters 14 (12), 6872-6877, 2014 | 424 | 2014 |
| Structure of a model TiO2 photocatalytic interface H Hussain, G Tocci, T Woolcot, X Torrelles, CL Pang, DS Humphrey, ... Nature materials 16 (4), 461-466, 2017 | 286 | 2017 |
| Electrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk water Y Chen, HI Okur, N Gomopoulos, C Macias-Romero, PS Cremer, ... Science advances 2 (4), e1501891, 2016 | 203 | 2016 |
| Fast diffusion of water nanodroplets on graphene M Ma, G Tocci, A Michaelides, G Aeppli Nature materials 15 (1), 66-71, 2016 | 179 | 2016 |
| Solvent-induced proton hopping at a water–oxide interface G Tocci, A Michaelides The journal of physical chemistry letters 5 (3), 474-480, 2014 | 107 | 2014 |
| Immobilization of molecular catalysts on electrode surfaces using host–guest interactions L Sévery, J Szczerbiński, M Taskin, I Tuncay, F Brandalise Nunes, ... Nature Chemistry 13 (6), 523-529, 2021 | 68 | 2021 |
| Strong coupling between nanofluidic transport and interfacial chemistry: how defect reactivity controls liquid–solid friction through hydrogen bonding L Joly, G Tocci, S Merabia, A Michaelides The journal of physical chemistry letters 7 (7), 1381-1386, 2016 | 46 | 2016 |
| Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water C Liang, G Tocci, DM Wilkins, A Grisafi, S Roke, M Ceriotti Physical Review B 96 (4), 041407, 2017 | 45 | 2017 |
| Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction G Tocci, M Bilichenko, L Joly, M Iannuzzi Nanoscale 12 (20), 10994-11000, 2020 | 44 | 2020 |
| Fast increase of nanofluidic slip in supercooled water: the key role of dynamics C Herrero, G Tocci, S Merabia, L Joly Nanoscale 12 (39), 20396-20403, 2020 | 35 | 2020 |
| Second-harmonic scattering as a probe of structural correlations in liquids G Tocci, C Liang, DM Wilkins, S Roke, M Ceriotti The journal of physical chemistry letters 7 (21), 4311-4316, 2016 | 32 | 2016 |
| Osmotic transport at the aqueous graphene and hBN interfaces: Scaling laws from a unified, first-principles description L Joly, RH Meißner, M Iannuzzi, G Tocci ACS nano 15 (9), 15249-15258, 2021 | 29 | 2021 |
| Connection between water’s dynamical and structural properties: Insights from ab initio simulations C Herrero, M Pauletti, G Tocci, M Iannuzzi, L Joly Proceedings of the National Academy of Sciences 119 (21), e2121641119, 2022 | 18 | 2022 |
| Impact of confinement and polarizability on dynamics of ionic liquids J Gäding, G Tocci, M Busch, P Huber, RH Meißner The journal of chemical physics 156 (6), 2022 | 17 | 2022 |
| Catalyst proximity-induced functionalization of h-BN with quat derivatives A Hemmi, H Cun, G Tocci, A Epprecht, B Stel, M Lingenfelder, LH de Lima, ... Nano letters 19 (9), 5998-6004, 2019 | 7 | 2019 |
| Realistic modelling of water/solid interfaces from Ab initio molecular dynamics G ToCCi UCL (University College London), 2014 | 1 | 2014 |
| The role of the water contact layer on hydration and transport at solid/liquid interfaces J Gäding, V Della Balda, J Lan, J Konrad, M Iannuzzi, RH Meißner, ... Proceedings of the National Academy of Sciences 121 (38), e2407877121, 2024 | | 2024 |
| Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials M Bilichenko, M Iannuzzi, G Tocci ACS nano 18 (35), 24118-24127, 2024 | | 2024 |
| Host-guest interactions on electrode surfaces for immobilization of molecular catalysts L Sévery, J Szczerbiński, M Taskin, I Tuncay, FB Nunes, C Cignarella, ... | | 2020 |