Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas and E. Molinari J. Phys. Chem. C, 116, 17328 (2012) Fulltext: dx.doi.org/10.1021/jp300657k
Intrinsic uncertainty on ab initio phase diagram and compound formation energy calculations: BCC Mo–Fe as a test case N. Sodre, J. C. Garcia, L. V. C. Assali, P. G. Gonzales-Ormeno, P. Blaha, H. M. Petrilli and C. G. Schön Phys. Status Solidi B, 1 (2012) Fulltext: 10.1002/pssb.201248386
Site Localization of Cd Impurities in Saphire G. N. Garriba, M. Renteria, H. M. Petrilli and L. V. C. Assali Phys. Rev. B, 86, 075203 (2012) Fulltext: 10.1103/PhysRevB.86.075203
Optical Excitations and Field Enhancement in Short Graphene Nanoribbons C. Cocchi, D. Prezzi, A. Ruini, E. Benassi, M. J. Caldas, S. Corni, and E. Molinari J. Phys. Chem. Lett., 3, 924 (2012) Fulltext: 10.1021/jz300164p
Structural, Spectroscopic (NMR, IR, and Raman), and DFT Investigation of the Self-Assembled Nanostructure of Pravastatin-LDH (Layered Double Hydroxides) Systems V. R. R. Cunha, P. A. D. Petersen, Marcos B. Gonçalves, H. M. Petrilli, C. Taviot-Gueho, F. Leroux, M. L. A. Temperini, and V. R. L. Constantino Chem. Mater. 24, 1415 (2012) Fulltext: 10.1021/cm202953y
First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface R. N. Igarashi, A. B. Klautau, R. B. Muniz, B. Sanyal, and H. M. Petrilli Phys. Rev. B 85, 014436 (2012) Fulltext: 10.1103/PhysRevB.85.01443
