Understanding adsorption of hydrogen atoms on graphene S Casolo, OM Løvvik, R Martinazzo, GF Tantardini The Journal of chemical physics 130 (5), 2009 | 411 | 2009 |
Atomic-scale characterization of nitrogen-doped graphite: Effects of dopant nitrogen on the local electronic structure of the surrounding carbon atoms T Kondo, S Casolo, T Suzuki, T Shikano, M Sakurai, Y Harada, M Saito, ... Physical Review B—Condensed Matter and Materials Physics 86 (3), 035436, 2012 | 304 | 2012 |
Symmetry-induced band-gap opening in graphene superlattices R Martinazzo, S Casolo, GF Tantardini Physical Review B—Condensed Matter and Materials Physics 81 (24), 245420, 2010 | 122 | 2010 |
Band engineering in graphene with superlattices of substitutional defects S Casolo, R Martinazzo, GF Tantardini The Journal of Physical Chemistry C 115 (8), 3250-3256, 2011 | 105 | 2011 |
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 2009 | 84 | 2009 |
Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances F Sannicolò, PR Mussini, T Benincori, R Cirilli, S Abbate, S Arnaboldi, ... Chemistry–A European Journal 20 (47), 15298-15302, 2014 | 72 | 2014 |
A few simple rules governing hydrogenation of graphene dots M Bonfanti, S Casolo, GF Tantardini, A Ponti, R Martinazzo The Journal of chemical physics 135 (16), 2011 | 47 | 2011 |
Structure and stability of hydrogenated carbon atom vacancies in graphene M Casartelli, S Casolo, GF Tantardini, R Martinazzo Carbon 77, 165-174, 2014 | 40 | 2014 |
Spin coupling around a carbon atom vacancy in graphene M Casartelli, S Casolo, GF Tantardini, R Martinazzo Physical Review B—Condensed Matter and Materials Physics 88 (19), 195424, 2013 | 39 | 2013 |
Surface Temperature Effects on Dissociative Chemisorption of H2 on Cu(100) A Marashdeh, S Casolo, L Sementa, H Zacharias, GJ Kroes The Journal of Physical Chemistry C 117 (17), 8851-8863, 2013 | 38 | 2013 |
Insights into H2 formation in space from ab initio molecular dynamics S Casolo, GF Tantardini, R Martinazzo Proceedings of the National Academy of Sciences 110 (17), 6674-6677, 2013 | 38 | 2013 |
Inherently Chiral Spider‐Like Oligothiophenes F Sannicolò, PR Mussini, T Benincori, R Martinazzo, S Arnaboldi, ... Chemistry–A European Journal 22 (31), 10839-10847, 2016 | 34 | 2016 |
Oxygen Nonstoichiometry in (Ca2CoO3)0.62(CoO2): A Combined Experimental and Computational Study M Schrade, S Casolo, PJ Graham, C Ulrich, S Li, OM Løvvik, TG Finstad, ... The Journal of Physical Chemistry C 118 (33), 18899-18907, 2014 | 31 | 2014 |
Quantum Dynamics of the Eley− Rideal Hydrogen Formation Reaction on Graphite at Typical Interstellar Cloud Conditions S Casolo, R Martinazzo, M Bonfanti, GF Tantardini The Journal of Physical Chemistry A 113 (52), 14545-14553, 2009 | 30 | 2009 |
Role of the self-interaction error in studying chemisorption on graphene from first-principles S Casolo, E Flage-Larsen, OM Løvvik, GR Darling, GF Tantardini Physical Review B—Condensed Matter and Materials Physics 81 (20), 205412, 2010 | 28 | 2010 |
Surface models and reaction barrier in Eley–Rideal formation of H 2 on graphitic surfaces M Bonfanti, S Casolo, GF Tantardini, R Martinazzo Physical Chemistry Chemical Physics 13 (37), 16680-16688, 2011 | 27 | 2011 |
Theoretical analysis of oxygen vacancies in layered sodium cobaltate, NaxCoO2− δ S Casolo, OM Løvvik, H Fjeld, T Norby Journal of Physics: Condensed Matter 24 (47), 475505, 2012 | 22 | 2012 |
Hydrogen recombination and dimer formation on graphite from ab initio molecular dynamics simulations S Casolo, GF Tantardini, R Martinazzo The Journal of Physical Chemistry A 120 (27), 5032-5040, 2016 | 13 | 2016 |
Physics and applications of Graphene–Theory R Martinazzo, S Casolo, GF Tantardini Chap, 2011 | 9 | 2011 |
The effect of atomic-scale defects and dopants on graphene electronic structure R Martinazzo, S Casolo, GF Tantardini Physics and Applications of Graphene-Theory, 2011 | 7 | 2011 |