| QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of Physics: Condensed Matter 21 (39), 395502, 2009 | 34318 | 2009 |
| Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ... Journal of Physics: Condensed Matter 29 (46), 465901, 2017 | 10204 | 2017 |
| Templated growth of metal–organic coordination chains at surfaces T Classen, G Fratesi, G Costantini, S Fabris, FL Stadler, C Kim, ... Angewandte Chemie International Edition 44 (38), 6142-6145, 2005 | 176 | 2005 |
| Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu (110) T Classen, M Lingenfelder, Y Wang, R Chopra, C Virojanadara, U Starke, ... The Journal of Physical Chemistry A 111 (49), 12589-12603, 2007 | 136 | 2007 |
| Gerstmann u P Giannozzi, S Baroni, N Bonini, M Calandra, D Ceresoli, GL Chiarotti, ... Gougousis C., Kokalj A., Lazzeri M., Martin-Samos L., Marzari N., Mauri F …, 2009 | 102 | 2009 |
| Methane dehydrogenation on Rh@ Cu (111): A first-principles study of a model catalyst A Kokalj, N Bonini, S de Gironcoli, C Sbraccia, G Fratesi, S Baroni Journal of the American Chemical Society 128 (38), 12448-12454, 2006 | 72 | 2006 |
| Electronic States of Silicene Allotropes on Ag (111) PM Sheverdyaeva, SK Mahatha, P Moras, L Petaccia, G Fratesi, G Onida, ... ACS nano 11 (1), 975-982, 2017 | 58 | 2017 |
| Doping Graphene with Substitutional Mn PC Lin, R Villarreal, S Achilli, H Bana, MN Nair, A Tejeda, K Verguts, ... ACS nano, 2021 | 51 | 2021 |
| Optical response and ultrafast carrier dynamics of the silicene-silver interface E Cinquanta, G Fratesi, S dal Conte, C Grazianetti, F Scotognella, ... Physical Review B 92 (16), 165427, 2015 | 49 | 2015 |
| Two‐Dimensional Silicene–Stanene Heterostructures by Epitaxy DS Dhungana, C Grazianetti, C Martella, S Achilli, G Fratesi, A Molle Advanced Functional Materials, 2102797, 2021 | 44 | 2021 |
| Analysis of methane-to-methanol conversion on clean and defective Rh surfaces G Fratesi, S de Gironcoli The Journal of chemical physics 125 (4), 044701, 2006 | 44 | 2006 |
| Scanning tunneling microscopy and Raman spectroscopy of polymeric sp–sp 2 carbon atomic wires synthesized on the Au (111) surface A Rabia, F Tumino, A Milani, V Russo, AL Bassi, S Achilli, G Fratesi, ... Nanoscale 11 (39), 18191-18200, 2019 | 41 | 2019 |
| Azimuthal Dichroism in Near-Edge X-ray Absorption Fine Structure Spectra of Planar Molecules G Fratesi, V Lanzilotto, L Floreano, GP Brivio The Journal of Physical Chemistry C 117 (13), 6632-6638, 2013 | 41 | 2013 |
| Atomic corrugation in scanning tunneling microscopy images of the surface A Picone, G Fratesi, A Brambilla, P Sessi, F Donati, S Achilli, L Maini, ... Physical Review B 81 (11), 115450, 2010 | 40 | 2010 |
| High resolution NEXAFS of perylene and PTCDI: a surface science approach to molecular orbital analysis G Fratesi, V Lanzilotto, S Stranges, M Alagia, GP Brivio, L Floreano Physical Chemistry Chemical Physics 16 (28), 14834-14844, 2014 | 35 | 2014 |
| Self-organized chromium oxide monolayers on Fe (001) A Picone, G Fratesi, M Riva, G Bussetti, A Calloni, A Brambilla, MI Trioni, ... Physical Review B 87 (8), 085403, 2013 | 35 | 2013 |
| Structural, Electronic, and Vibrational Properties of a Two-Dimensional Graphdiyne-like Carbon Nanonetwork Synthesized on Au (111): Implications for the Engineering of sp-sp2 … A Rabia, F Tumino, A Milani, V Russo, AL Bassi, N Bassi, A Lucotti, ... ACS applied nano materials, 2020 | 34 | 2020 |
| Femtomagnetism in graphene induced by core level excitation of organic adsorbates A Ravikumar, A Baby, H Lin, GP Brivio, G Fratesi Scientific reports 6, 24603, 2016 | 33 | 2016 |
| Enhanced atom mobility on the surface of a metastable film A Picone, M Riva, G Fratesi, A Brambilla, G Bussetti, M Finazzi, L Duo, ... Physical review letters 113 (4), 046102, 2014 | 33 | 2014 |
| Cobalt atoms drive the anchoring of Co-TPP molecules to the oxygen-passivated Fe (0 0 1) surface A Calloni, MS Jagadeesh, G Bussetti, G Fratesi, S Achilli, A Picone, ... Applied Surface Science 505, 144213, 2020 | 31 | 2020 |
