Ronaldo. J. C. Batista

de Moraes EE, Coutinho-Filho MD, Batista RJC. Transport Properties of Hydrogenated Cubic Boron Nitride Nanofilms with Gold Electrodes from Density Functional Theory. ACS Omega [Internet]. 2017;2 (4) :1696-1701. Publisher's Version
Gonçalves JA, Nascimento R, Matos MJS, de Oliveira AB, Chacham H, Batista RJC. Edge-Reconstructed, Few-Layered Graphene Nanoribbons: Stability and Electronic Properties. The Journal of Physical Chemistry C [Internet]. 2017;121 (10) :5836-5840. Publisher's VersionAbstract

J. Phys. Chem. C, 2017, 121 (10), pp 5836–5840

We report a first-principles study of edge-reconstructed, few-layered graphene nanoribbons. We find that the nanoribbon stability increases linearly with increasing width and decreases linearly with increasing number of layers (from three to six layers). Specifically, we find that a three-layer 1.3 nm wide ribbon is energetically more stable than the C60 fullerene, and that a 1.8 nm wide ribbon is more stable than a (10,0) carbon nanotube. The morphologies of the reconstructed edges are characterized by the presence of five-, six-, and sevenfold rings, with sp3 and sp2bonds at the reconstructed edges. The electronic structure of the few-layered nanoribbons with reconstructed edges can be metallic or semiconducting, with band gaps oscillating between 0 and 0.28 eV as a function of ribbon width.

Filho VFL, Machado G, Batista RJC, Soares JS, de Oliveira AB, de Vasconcelos C, Lino AA, Manhabosco TM. Effect of TiO2 Nanoparticles on Polyaniline Films Electropolymerized at Different pH. The Journal of Physical Chemistry C [Internet]. 2016;120 (27) :14977-14983. Publisher's Version
de Vasconcelos CKB, Batista RJC, da Régis MGR, Manhabosco TM, de Oliveira AB. A simple model for solute–solvent separation through nanopores based on core-softened potentials. Physica A: Statistical Mechanics and its Applications [Internet]. 2016;453 :184 - 193. Publisher's VersionAbstract
Abstract We propose an effective model for solute separation from fluids through reverse osmosis based on core-softened potentials. Such potentials have been used to investigate anomalous fluids in several situations under a great variety of approaches. Due to their simplicity, computational simulations become faster and mathematical treatments are possible. Our model aims to mimic water desalination through nano-membranes through reverse osmosis, for which we have found reasonable qualitative results when confronted against all-atoms simulations found in the literature. The purpose of this work is not to replace any fully atomistic simulation at this stage, but instead to pave the first steps towards coarse-grained models for water desalination processes. This may help to approach problems in larger scales, in size and time, and perhaps make analytical theories more viable.
Oliveira AB, Chacham H, Soares JS, Manhabosco TM, de Resende HFV, Batista RJC. Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes: Theory and molecular dynamics simulations. Carbon [Internet]. 2016;96 :616-621. Publisher's Version
Oliveira CK, Gomes EFA, Prado MC, Alencar TV, Nascimento R, Malard LM, Batista RJC, Oliveira AB, Chacham H, de Paula AM, et al. Crystal-oriented wrinkles with origami-type junctions in few-layer hexagonal boron nitride. Nano Research [Internet]. 2015;8 (5) :1680-1688. Publisher's Version
Manhabosco SM, Batista RJC, Neves da Silva S, Dick LFP. DETERMINATION OF CURRENT MAPS BY SVET OF HOT-DIP GALVANIZED STEEL UNDER SIMULTANEOUS STRAINING. Electrochimica Acta [Internet]. 2015;168 :89-96. Publisher's Version
de Lima AL, Muessnich LAM, Manhabosco TM, Chacham H, Batista RJC, Oliveira AB. Soliton instability and fold formation in laterally compressed graphene. Nanotechnology [Internet]. 2015;26 (4). Publisher's Version
Marques dos Santos AM, Batista RJC, Meira Martins LA, Ilha M, Vieira MQ, Miquita DR, Rodrigues Guma FC, Mueller IL, Manhabosco TM. Corrosion and cell viability studies of graphite-like hydrogenated amorphous carbon films deposited on bare and nitrided titanium alloy. Corrosion Science [Internet]. 2014;82 :297-303. Publisher's Version
Batista RJC, Carara SS, Manhabosco TM, Chacham H. A Ferromagnetic Pure Carbon Structure Composed of Graphene and Nanotubes: First-Principles Calculations. Journal of Physical Chemistry C [Internet]. 2014;118 (15) :8143-8147. Publisher's Version
Batista RJC, Oliveira AB, Carara SS, Chacham H. Controlling the Electrical Response of Carbon Nanotubes Deposited on Diamond through the Application of Electric Fields. Journal of Physical Chemistry C [Internet]. 2014;118 (37) :21599-21603. Publisher's Version
Manhabosco TM, Barboza APM, Batista RJC, Neves BRA, Mueller IL. Corrosion, wear and wear-corrosion behavior of graphite-like a-C:H films deposited on bare and nitrided titanium alloy. Diamond and Related Materials [Internet]. 2013;31 :58-64. Publisher's Version
Barboza APM, Carara SS, Batista RJC, Chacham H, Neves BRA. Controlling the Electrical Behavior of Semiconducting Carbon Nanotubes via Tube Contact. Small [Internet]. 2012;8 (2) :220-224. Publisher's Version
Barboza APM, Chacham H, Oliveira CK, Fernandes TFD, Ferreira EHM, Archanjo BS, Batista RJC, Oliveira AB, Neves BRA. Dynamic Negative Compressibility of Few-Layer Graphene, h-BN, and MoS2. Nano Letters [Internet]. 2012;12 (5) :2313-2317. Publisher's Version
Batista RJC, Oliveira AB, Pereira NR, Paolini RS, Manhabosco TM. Boron nitride nanotubes as templates for half-metal nanowires. Journal of Physics-Condensed Matter [Internet]. 2012;24 (16). Publisher's Version
Araujo PT, Barbosa Neto NM, Chacham H, Carara SS, Soares JS, Souza AD, Cancado LG, Oliveira AB, Batista RJC, Joselevich E, et al. In Situ Atomic Force Microscopy Tip-Induced Deformations and Raman Spectroscopy Characterization of Single-Wall Carbon Nanotubes. Nano Letters. 2012;12 (8) :4110-4116.
Moraes EE, Manhabosco TM, Oliveira AB, Batista RJC. Tunable band gap of boron nitride interfaces under uniaxial pressure. Journal of Physics-Condensed Matter [Internet]. 2012;24 (47). Publisher's Version
da Martins JR, Batista RJC, Chacham H. Doped Assemblies of Gold Nanoparticles: Structural and Electronic Properties. Journal of the American Chemical Society [Internet]. 2010;132 (34) :11929-11933. Publisher's Version
Batista RJC, Mazzoni MSC, Chacham H. First-principles investigation of electrochemical properties of gold nanoparticles. Nanotechnology [Internet]. 2010;21 (6). Publisher's Version
Batista RJC, Oliveira AB, Rocco DL. Iron oxide doped boron nitride nanotubes: structural and magnetic properties. Journal of Physics-Condensed Matter [Internet]. 2010;22 (35). Publisher's Version