Density functional theory investigation of MJ Piotrowski, P Piquini, JLF Da Silva
Physical Review B—Condensed Matter and Materials Physics 81 (15), 155446, 2010
273 2010 Theoretical study of native defects in BN nanotubes TM Schmidt, RJ Baierle, P Piquini, A Fazzio
Physical Review B 67 (11), 113407, 2003
184 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
134 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
112 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 Ptn 55–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
89 2012 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—Condensed Matter and Materials Physics 81 (7), 075408, 2010
85 2010 Ab initio study of native defects in SiC nanotubesRJ Baierle, P Piquini, LP Neves, RH Miwa
Physical Review B—Condensed Matter and Materials Physics 74 (15), 155425, 2006
80 2006 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
66 2011 Band-Gap Design of Quaternary (In, Ga)(As, Sb) Semiconductors<? format?> via the Inverse-Band-Structure Approach P Piquini, PA Graf, A Zunger
Physical review letters 100 (18), 186403, 2008
58 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
54 2011 Pseudopotential calculations of band gaps and band edges of short-period P Piquini, A Zunger, R Magri
Physical Review B—Condensed Matter and Materials Physics 77 (11), 115314, 2008
48 2008 The influence of the stacking orientation of C and BN stripes in the structure, energetics, and electronicproperties of BC2N nanotubes M Machado, T Kar, P Piquini
Nanotechnology 22 (20), 205706, 2011
45 2011 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
43 2012 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 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 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
35 2011 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