Density functional theory investigation of 3 d, 4 d, and 5 d 13-atom metal clusters MJ Piotrowski, P Piquini, JLF Da Silva Physical Review B 81 (15), 155446, 2010 | 257 | 2010 |
Theoretical study of native defects in BN nanotubes TM Schmidt, RJ Baierle, P Piquini, A Fazzio Physical Review B 67 (11), 113407, 2003 | 180 | 2003 |
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 | 127 | 2006 |
Methylmercury's chemistry: From the environment to the mammalian brain PA Nogara, CS Oliveira, GL Schmitz, PC Piquini, M Farina, M Aschner, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1863 (12), 129284, 2019 | 94 | 2019 |
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 |
Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation MJ Piotrowski, P Piquini, JLF Da Silva The Journal of Physical Chemistry C 116 (34), 18432-18439, 2012 | 88 | 2012 |
Ab initio study of native defects in SiC nanotubes RJ Baierle, P Piquini, LP Neves, RH Miwa Physical Review B 74 (15), 155425, 2006 | 79 | 2006 |
Diameter dependence of mechanical, electronic, and structural properties of InAs and InP nanowires: A first-principles study CL Dos Santos, P Piquini Physical Review B 81 (7), 075408, 2010 | 78 | 2010 |
C–S cross-coupling of thiols with aryl iodides under ligand-free conditions using nano copper oxide as a recyclable catalyst in ionic liquid RS Schwab, D Singh, EE Alberto, P Piquini, OED Rodrigues, AL Braga Catalysis Science & Technology 1 (4), 569-573, 2011 | 65 | 2011 |
Band-gap design of quaternary (In, Ga)(As, Sb) semiconductors via the inverse-band-structure approach P Piquini, PA Graf, A Zunger Physical review letters 100 (18), 186403, 2008 | 54 | 2008 |
The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co 13, Rh 13, and Hf 13 MJ Piotrowski, P Piquini, L Candido, JLF Da Silva Physical Chemistry Chemical Physics 13 (38), 17242-17248, 2011 | 52 | 2011 |
Pseudopotential calculations of band gaps and band edges of short-period (In As) n∕(Ga Sb) m superlattices with different substrates, layer orientations, and interfacial bonds P Piquini, A Zunger, R Magri Physical Review B 77 (11), 115314, 2008 | 48 | 2008 |
Charge distributions in BN nanocones: electric field and tip termination effects M Machado, P Piquini, R Mota Chemical Physics Letters 392 (4-6), 428-432, 2004 | 43 | 2004 |
The influence of the stacking orientation of C and BN stripes in the structure, energetics, and electronic properties of BC2N nanotubes M Machado, T Kar, P Piquini Nanotechnology 22 (20), 205706, 2011 | 42 | 2011 |
Electronic properties of BN nanocones under electric fields M Machado, R Mota, P Piquini Microelectronics journal 34 (5-8), 545-547, 2003 | 42 | 2003 |
Electronic and structural trends in small GaAs clusters P Piquini, S Canuto, A Fazzio Nanostructured materials 10 (4), 635-647, 1998 | 42 | 1998 |
Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation MJ Piotrowski, P Piquini, Z Zeng, JLF Da Silva The Journal of Physical Chemistry C 116 (38), 20540-20549, 2012 | 38 | 2012 |
Theoretical studies of native defects in cubic boron nitride P Piquini, R Mota, TM Schmidt, A Fazzio Physical Review B 56 (7), 3556, 1997 | 38 | 1997 |
Transition-metal 13-atom clusters assessed with solid and surface-biased functionals MJ Piotrowski, P Piquini, MM Odashima, JLF Da Silva The Journal of chemical physics 134 (13), 2011 | 33 | 2011 |
Theoretical study of Si impurities in BN nanotubes S Guerini, T Kar, P Piquini The European Physical Journal B-Condensed Matter and Complex Systems 38 (3 …, 2004 | 31 | 2004 |