Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur PA Denis Chemical Physics Letters 492 (4-6), 251-257, 2010 | 474 | 2010 |
Mechanical properties of graphene nanoribbons R Faccio, PA Denis, H Pardo, C Goyenola, AW Mombrú Journal of Physics: Condensed Matter 21 (28), 285304, 2009 | 275 | 2009 |
Is it possible to dope single‐walled carbon nanotubes and graphene with sulfur? PA Denis, R Faccio, AW Mombru ChemPhysChem 10 (4), 715-722, 2009 | 265 | 2009 |
Comparative study of defect reactivity in graphene PA Denis, F Iribarne The Journal of Physical Chemistry C 117 (37), 19048-19055, 2013 | 199 | 2013 |
Density functional investigation of thioepoxidated and thiolated graphene PA Denis The Journal of Physical Chemistry C 113 (14), 5612-5619, 2009 | 114 | 2009 |
Concentration dependence of the band gaps of phosphorus and sulfur doped graphene PA Denis Computational materials science 67, 203-206, 2013 | 100 | 2013 |
Beryllium doped graphene as an efficient anode material for lithium-ion batteries with significantly huge capacity: A DFT study S Ullah, PA Denis, F Sato Applied Materials Today 9, 333-340, 2017 | 95 | 2017 |
When noncovalent interactions are stronger than covalent bonds: Bilayer graphene doped with second row atoms, aluminum, silicon, phosphorus and sulfur PA Denis Chemical Physics Letters 508 (1-3), 95-101, 2011 | 93 | 2011 |
Structural characterization and chemical reactivity of dual doped graphene PA Denis, CP Huelmo Carbon 87, 106-115, 2015 | 88 | 2015 |
Theoretical characterization of sulfur and nitrogen dual-doped graphene PA Denis, CP Huelmo, F Iribarne Computational and Theoretical Chemistry 1049, 13-19, 2014 | 86 | 2014 |
Magnetism induced by single carbon vacancies in a three-dimensional graphitic network R Faccio, H Pardo, PA Denis, RY Oeiras, FM Araújo-Moreira, ... Physical Review B—Condensed Matter and Materials Physics 77 (3), 035416, 2008 | 82 | 2008 |
Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes PA Denis Chemical Physics Letters 516 (1-3), 82-87, 2011 | 81 | 2011 |
Chemical reactivity and band‐gap opening of graphene doped with gallium, germanium, arsenic, and selenium atoms PA Denis ChemPhysChem 15 (18), 3994-4000, 2014 | 79 | 2014 |
Organic chemistry of graphene: the Diels–Alder reaction PA Denis Chemistry–A European Journal 19 (46), 15719-15725, 2013 | 77 | 2013 |
Band gap opening in dual-doped monolayer graphene PA Denis, C Pereyra Huelmo, AS Martins The Journal of Physical Chemistry C 120 (13), 7103-7112, 2016 | 65 | 2016 |
Chemical reactivity of lithium doped monolayer and bilayer graphene PA Denis The Journal of Physical Chemistry C 115 (27), 13392-13398, 2011 | 64 | 2011 |
Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment PA Denis, M Kieninger, ON Ventura, RE Cachau, GHF Diercksen Chemical physics letters 365 (5-6), 440-449, 2002 | 62* | 2002 |
Hydrogen storage in doped biphenylene based sheets PA Denis, F Iribarne Computational and theoretical chemistry 1062, 30-35, 2015 | 60 | 2015 |
Theoretical characterization of hydrogen polyoxides: HOOH, HOOOH, HOOOOH, and HOOO PA Denis, FR Ornellas The Journal of Physical Chemistry A 113 (2), 499-506, 2009 | 60 | 2009 |
Monolayer and bilayer graphene functionalized with nitrene radicals PA Denis, F Iribarne The Journal of Physical Chemistry C 115 (1), 195-203, 2011 | 59 | 2011 |