Ab initio calculations for a hypothetical material: Silicon nanotubes SB Fagan, RJ Baierle, R Mota, AJR da Silva, A Fazzio Physical Review B 61 (15), 9994, 2000 | 349 | 2000 |
Theoretical study of native defects in BN nanotubes TM Schmidt, RJ Baierle, P Piquini, A Fazzio Physical Review B 67 (11), 113407, 2003 | 185 | 2003 |
Electronic and structural properties of silicon-doped carbon nanotubes RJ Baierle, SB Fagan, R Mota, AJR da Silva, A Fazzio Physical Review B 64 (8), 085413, 2001 | 165 | 2001 |
Hydrogen adsorption on carbon-doped boron nitride nanotube RJ Baierle, P Piquini, TM Schmidt, A Fazzio The Journal of Physical Chemistry B 110 (42), 21184-21188, 2006 | 134 | 2006 |
Functionalization of carbon nanotubes through the chemical binding of atoms and molecules SB Fagan, AJR da Silva, R Mota, RJ Baierle, A Fazzio Physical Review B 67 (3), 033405, 2003 | 130 | 2003 |
Stability investigation and thermal behavior of a hypothetical silicon nanotube SB Fagan, R Mota, RJ Baierle, G Paiva, AJR Da Silva, A Fazzio Journal of Molecular Structure: THEOCHEM 539 (1-3), 101-106, 2001 | 129 | 2001 |
Adsorption of CO and NO molecules on carbon doped boron nitride nanotubes RJ Baierle, TM Schmidt, A Fazzio Solid State Communications 142 (1-2), 49-53, 2007 | 128 | 2007 |
Vacancy formation process in carbon nanotubes: first-principles approach J Rossato, RJ Baierle, A Fazzio, R Mota Nano letters 5 (1), 197-200, 2005 | 108 | 2005 |
Optical emission from small Si particles RJ Baierle, MJ Caldas, E Molinari, S Ossicini Solid State Communications 102 (7), 545-549, 1997 | 97 | 1997 |
Formation energy of native defects in BN nanotubes: an ab initio study P Piquini, RJ Baierle, TM Schmidt, A Fazzio Nanotechnology 16 (6), 827, 2005 | 90 | 2005 |
Ab initio study of native defects in SiC nanotubes RJ Baierle, P Piquini, LP Neves, RH Miwa Physical Review B—Condensed Matter and Materials Physics 74 (15), 155425, 2006 | 80 | 2006 |
Mechanism of dopant segregation to interfaces J Dabrowski, HJ Müssig, V Zavodinsky, R Baierle, MJ Caldas Physical Review B 65 (24), 245305, 2002 | 80 | 2002 |
Self-interstitial defect in germanium AJR da Silva, A Janotti, A Fazzio, RJ Baierle, R Mota Physical Review B 62 (15), 9903, 2000 | 76 | 2000 |
Rationalizing the hydrogen and oxygen evolution reaction activity of two-dimensional hydrogenated silicene and germanene CJ Rupp, S Chakraborty, J Anversa, RJ Baierle, R Ahuja ACS Applied Materials & Interfaces 8 (2), 1536-1544, 2016 | 71 | 2016 |
Stability and electronic properties of vacancies and antisites in nanotubes J Rossato, RJ Baierle, W Orellana Physical Review B—Condensed Matter and Materials Physics 75 (23), 235401, 2007 | 66 | 2007 |
Hydrogen interaction with native defects in nanotubes RJ Baierle, RH Miwa Physical Review B—Condensed Matter and Materials Physics 76 (20), 205410, 2007 | 51 | 2007 |
Energetics and structural properties of adsorbed atoms and molecules on silicon-doped carbon nanotubes SB Fagan, R Mota, RJ Baierle, AJR da Silva, A Fazzio Materials characterization 50 (2-3), 183-187, 2003 | 39 | 2003 |
The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study CJ Rupp, S Chakraborty, R Ahuja, RJ Baierle Physical Chemistry Chemical Physics 17 (34), 22210-22216, 2015 | 34 | 2015 |
2D dumbbell silicene as a high storage capacity and fast ion diffusion anode for Li-ion batteries DD Vargas, GL Cardoso, PC Piquini, R Ahuja, RJ Baierle ACS Applied Materials & Interfaces 14 (41), 47262-47271, 2022 | 33 | 2022 |
First-principles study of the adsorption of atomic and molecular hydrogen on nanotubes J Rossato, RJ Baierle, TM Schmidt, A Fazzio Physical Review B—Condensed Matter and Materials Physics 77 (3), 035129, 2008 | 33 | 2008 |