Edge effects in bilayer graphene nanoribbons: Ab initio total-energy density functional theory calculations MP Lima, A Fazzio, AJR da Silva
Physical Review B—Condensed Matter and Materials Physics 79 (15), 153401, 2009
75 2009 Dynamical evolution of polaron to bipolaron in conjugated polymers MP Lima, G Magela e Silva
Physical Review B—Condensed Matter and Materials Physics 74 (22), 224304, 2006
68 2006 Role of Structural Phases and Octahedra Distortions in the Optoelectronic and Excitonic Properties of CsGeX3 (X = Cl, Br, I) Perovskites AC Dias, MP Lima, JLF Da Silva
The Journal of Physical Chemistry C 125 (35), 19142-19155, 2021
54 2021 Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2 , MoSe2 , and MoTe2 NAMS Caturello, R Besse, ACH Da Silva, D Guedes-Sobrinho, MP Lima, ...
The Journal of Physical Chemistry C 122 (47), 27059-27069, 2018
49 2018 Bilayer graphene dual-gate nanodevice: An ab initio simulation JE Padilha, MP Lima, AJR da Silva, A Fazzio
Physical Review B—Condensed Matter and Materials Physics 84 (11), 113412, 2011
43 2011 Topological phases in triangular lattices of Ru adsorbed on graphene: Ab initio calculations CM Acosta, MP Lima, RH Miwa, AJR da Silva, A Fazzio
Physical Review B 89 (15), 155438, 2014
36 2014 Adatoms in graphene as a source of current polarization: Role of the local magnetic moment MP Lima, AJR da Silva, A Fazzio
Physical Review B 84 (24), 245411, 2011
36 2011 First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures R Besse, MP Lima, JLF Da Silva
ACS Applied Energy Materials 2 (12), 8491-8501, 2019
35 2019 Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory R Besse, NAMS Caturello, CMO Bastos, D Guedes-Sobrinho, MP Lima, ...
The Journal of Physical Chemistry C 122 (35), 20483-20488, 2018
32 2018 Edge, size, and shape effects on WS 2, WSe 2, and WTe 2 nanoflake stability: design principles from an ab initio investigation ACH Da Silva, NAMS Caturello, R Besse, MP Lima, JLF Da Silva
Physical Chemistry Chemical Physics 21 (41), 23076-23084, 2019
24 2019 Insights into the nature of optically active defects of ZnO L Cabral, V Lopez-Richard, JLF Da Silva, GE Marques, MP Lima, ...
Journal of luminescence 227, 117536, 2020
23 2020 Tailoring the physical and chemical properties of Sn 1− x Co x O 2 nanoparticles: an experimental and theoretical approach FFH Aragón, L Villegas-Lelovsky, L Cabral, MP Lima, JCR Aquino, ...
Physical Chemistry Chemical Physics 22 (6), 3702-3714, 2020
21 2020 Tuning the magnetic properties of FeCo thin films through the magnetoelastic effect induced by the Au underlayer thickness L Cabral, FH Aragón, L Villegas-Lelovsky, MP Lima, WAA Macedo, ...
ACS applied materials & interfaces 11 (1), 1529-1537, 2018
20 2018 Azobenzene Adsorption on the MoS2 (0001) Surface: A Density Functional Investigation within van der Waals Corrections L Cabral, FP Sabino, MP Lima, GE Marques, V Lopez-Richard, ...
The Journal of Physical Chemistry C 122 (33), 18895-18901, 2018
20 2018 Splitting of the zero-energy edge states in bilayer graphene MP Lima, AJR da Silva, A Fazzio
Physical Review B—Condensed Matter and Materials Physics 81 (4), 045430, 2010
20 2010 Spin caloritronics in graphene with Mn A Torres, MP Lima, A Fazzio, AJR da Silva
Applied Physics Letters 104 (7), 2014
19 2014 Tight-binding model for the band dispersion in rhombohedral topological insulators over the whole Brillouin zone CM Acosta, MP Lima, AJR da Silva, A Fazzio, CH Lewenkopf
Physical Review B 98 (3), 035106, 2018
17 2018 Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys RM dos Santos, I Ornelas− Cruz, AC Dias, MP Lima, JLF Da Silva
ACS Applied Energy Materials 6 (10), 5259-5273, 2023
14 2023 First-principles investigation of the role of Cr in the electronic properties of the two-dimensional AC Dias, H Bragança, MP Lima, JLF Da Silva
Physical Review Materials 6 (5), 054001, 2022
14 2022 Electronic transport properties of MoS 2 nanoribbons embedded in butadiene solvent A Pezo, MP Lima, M Costa, A Fazzio
Physical Chemistry Chemical Physics 21 (21), 11359-11366, 2019
13 2019 