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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
Theoretical study of native defects in BN nanotubes
TM Schmidt, RJ Baierle, P Piquini, A Fazzio
Physical Review B 67 (11), 113407, 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
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
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
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
Ab initio study of native defects in SiC nanotubes
RJ Baierle, P Piquini, LP Neves, RH Miwa
Physical Review B 74 (15), 155425, 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
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
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
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
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
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
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
Electronic properties of BN nanocones under electric fields
M Machado, R Mota, P Piquini
Microelectronics journal 34 (5-8), 545-547, 2003
Electronic and structural trends in small GaAs clusters
P Piquini, S Canuto, A Fazzio
Nanostructured materials 10 (4), 635-647, 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
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
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
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
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