J. L. D. Da Silva

发表

Parallel tempering Monte Carlo combined with clustering Euclidean metric analysis to study the thermodynamic stability of Lennard-Jones nanoclusters.

Gustavo G. Rondina, Henrique M Cezar, J. L. D. Da Silva, 2017, The Journal of chemical physics.

Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zr n on the CeO2(111) surface.

J. L. D. Da Silva, Y. Seminovski, Rafael Costa-Amaral, 2018, The Journal of chemical physics.

First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes

J. L. D. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, 2021 .

(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature

L. Ghiringhelli, I. Hamilton, J. L. D. Da Silva, 2018, The journal of physical chemistry letters.

Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment

M. Orlandi, M. G. Masteghin, J. L. D. Da Silva, 2019, Computational Materials Science.

Ethanol and Water Adsorption on Transition-Metal 13-Atom Clusters: A Density Functional Theory Investigation within van der Waals Corrections.

J. L. D. Da Silva, Larissa Zibordi-Besse, P. Tereshchuk, 2016, The journal of physical chemistry. A.

Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections.

J. L. D. Da Silva, Rafael L. H. Freire, A. Kiejna, 2016, Physical chemistry chemical physics : PCCP.

An ab initio investigation of the adsorption properties of water on binary AlSi clusters.

J. L. D. Da Silva, A. C. R. Gomes, Tiago M de Souza, 2020, Physical chemistry chemical physics : PCCP.

Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2.

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, Larissa Zibordi-Besse, 2019, The Journal of chemical physics.

Adsorption of Xe atoms on metal surfaces: new insights from first-principles calculations.

M. Scheffler, C. Stampfl, J. L. D. Da Silva, 2002, Physical review letters.

Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15-nO30 nanoclusters.

Karla F. Andriani, J. L. D. Da Silva, Y. Seminovski, 2019, Physical chemistry chemical physics : PCCP.

Interfacial Structures in Ionic Liquid Based Ternary Electrolytes for Lithium-Metal Batteries: a Molecular Dynamics Study.

D. Brandell, Tuanan C. Lourenço, Luciano T. Costa, 2020, The journal of physical chemistry. B.

A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems

Gustavo G. Rondina, Henrique M Cezar, J. L. D. Da Silva, 2016, Journal of physics. Condensed matter : an Institute of Physics journal.

Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory

J. L. D. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, 2018, The Journal of Physical Chemistry C.

The role of the alkali and chalcogen atoms on the stability of the layered chalcogenide A2MIIM3 IVQ8 (A = alkali-metal; M = metal-cations; Q = chalcogen) compounds: a density functional theory investigation within van der Waals corrections

J. L. D. Da Silva, Rafael Besse, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles investigation of the role of Cr in the electronic properties of the two-dimensional MoxCr1−

J. L. D. Da Silva, H. Bragança, A. C. Dias, 2022, Physical Review Materials.

Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt

A. Nogueira, J. L. D. Da Silva, R. Szostak, 2022, JACS Au.

Effect of copassivation of Cl and Cu on CdTe grain boundaries.

Yanfa Yan, Jingbo Li, T. Gessert, 2008, Physical review letters.

Ab initio screening of two-dimensional CuQ x and AgQ x chalcogenides

J. L. D. Da Silva, A. C. Dias, Rafael Besse, 2022, Journal of physics. Condensed matter : an Institute of Physics journal.

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining

Gabriel A. Pinheiro, Tuanan C. Lourenço, M. C. Lopes, 2022, J. Chem. Inf. Model..

Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes.

J. L. D. Da Silva, L. G. Verga, Henrique A B Fonseca, 2021, The journal of physical chemistry. A.

The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction.

J. L. D. Da Silva, Rafael Costa-Amaral, J. Gomes, 2019, Physical chemistry chemical physics : PCCP.

Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation.

J. L. D. Da Silva, Wei‐Xue Li, Z. Zeng, 2010, Physical chemistry chemical physics : PCCP.

Prediction of Effective Photoelectron and Hole Separation in Type-I MoS2/PtSe2 van der Waals Junction.

Shengbai Zhang, Han Wang, D. West, 2022, The journal of physical chemistry letters.

Spin-orbit coupling and ion displacements in multiferroic TbMnO3.

H. Xiang, J. L. D. Da Silva, M. Whangbo, 2008, Physical review letters.

Ab initio investigation of the interface between Mo10S24 nanoflakes and the J. L. D. Da Silva, Naidel A. M. S. Caturello, M. P. Lima, 2022, Applied Surface Science.

Structural, electronic, and optical properties of the In2O3(ZnO)n system

A. Walsh, Yanfa Yan, M. Al‐Jassim, 2009, 2009 34th IEEE Photovoltaic Specialists Conference (PVSC).

Evidence for a subtle structural symmetry breaking in EuB6

Z. Fisk, H. Martinho, G. Dalpian, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Theoretical description of carrier mediated magnetism in cobalt doped ZnO.

A. Walsh, J. L. D. Da Silva, S. Wei, 2008, Physical review letters.

Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles

Tuanan C. Lourenço, J. L. D. Da Silva, M. Quiles, 2022, J. Chem. Inf. Model..

Contrasting Structure and Bonding of a Copper-Rich and a Zinc-Rich Intermetalloid Cu/Zn Cluster.

T. Fässler, R. Fischer, J. L. D. Da Silva, 2020, Inorganic chemistry.

Theoretical investigation of the stability of A55-B nanoalloys (A, B = Al, Cu, Zn, Ag)

Felipe Orlando Morais, J. L. D. Da Silva, B. Galvão, 2022, Computational Materials Science.

Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster

Karla F. Andriani, J. L. D. Da Silva, M. J. Piotrowski, 2022, The Journal of Physical Chemistry C.

Mechanism of amoxicillin adsorption by ferrihydrites: experimental and computational approaches

N. Mohallem, J. L. D. Da Silva, B. Galvão, 2023, Journal of Molecular Liquids.

Novel zero-dimensional lead-free bismuth based perovskites: from synthesis to structural and optoelectronic characterization

A. Nogueira, J. L. D. Da Silva, J. Silveira, 2020 .

Azobenzene Adsorption on the MoS2(0001) Surface: A Density Functional Investigation within van der Waals Corrections

J. L. D. Da Silva, G. Marques, L. Cabral, 2018, The Journal of Physical Chemistry C.

Nitroxyl as a ligand in ruthenium tetraammine systems: a density functional theory study.

J. L. D. Da Silva, D. W. Franco, Augusto C H Da Silva, 2016, Dalton transactions.

The adsorption of alcohols on strained Pt3Ni(111) substrates: a density functional investigation within the D3 van der Waals correction.

J. L. D. Da Silva, Rafael Costa-Amaral, 2018, Physical chemistry chemical physics : PCCP.

Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TMn systems for n = 2-15): a density functional theory investigation.

J. L. D. Da Silva, A. S. Chaves, M. Piotrowski, 2017, Physical chemistry chemical physics : PCCP.

Acid-base properties of hydroxyapatite(0001) by the adsorption of probe molecules: An ab initio investigation

J. L. D. Da Silva, G. Valença, Paulo C. D. Mendes, 2021, Physical Review Materials.

The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: A density functional theory investigation.

J. L. D. Da Silva, Y. Seminovski, P. Tereshchuk, 2016, The Journal of chemical physics.

Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters.

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, Larissa Zibordi-Besse, 2020, Physical chemistry chemical physics : PCCP.

Geometrical content of Leslie coefficients.

J. L. D. Da Silva, M. Simões, 2011, Physical review. E, Statistical, nonlinear, and soft matter physics.

Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset.

Gabriel A. Pinheiro, M. Quiles, J. L. D. Da Silva, 2020, The journal of physical chemistry. A.

Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis

Karla F. Andriani, J. L. D. Da Silva, J. Mucelini, 2020 .

Tuning the Magnetic Properties of FeCo Thin Films through the Magnetoelastic Effect Induced by the Au Underlayer Thickness.

J. L. D. Da Silva, L. Cabral, L. Villegas-Lelovsky, 2018, ACS applied materials & interfaces.

Multi-component transparent conducting oxides: progress in materials modelling

A. Walsh, J. L. D. Da Silva, S. Wei, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

On a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation

Taifeng Liu, P. Praserthdam, J. L. D. Da Silva, 2022, Scientific Reports.

The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites.

J. L. D. Da Silva, Rafael Besse, Mailde S. Ozório, 2021, Physical chemistry chemical physics : PCCP.

Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111).

Joachim Sauer, M. V. Ganduglia-Pirovano, J. Sauer, 2009, Physical review letters.

Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy.

C. Körber, A. Walsh, R. Egdell, 2008, Physical review letters.

A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster.

Karla F. Andriani, J. L. D. Da Silva, Mailde S. Ozório, 2020, Physical chemistry chemical physics : PCCP.

Theoretical Investigation of the Role of Anion and Trivalent Cation Substitution in the Physical Properties of Lead-Free Zero-Dimensional Perovskites

J. L. D. Da Silva, A. C. Dias, J. Silveira, 2022, The Journal of Physical Chemistry C.

Role of Structural Phases and Octahedra Distortions in the Optoelectronic and Excitonic Properties of CsGeX3 (X = Cl, Br, I) Perovskites

J. L. D. Da Silva, A. C. Dias, M. P. Lima, 2021, The Journal of Physical Chemistry C.

How do random superficial defects influence the electro-oxidation of glycerol on Pt(111) surfaces?

C. A. Martins, J. L. D. Da Silva, G. Tremiliosi‐Filho, 2016, Physical Chemistry, Chemical Physics - PCCP.

The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

J. L. D. Da Silva, Y. Seminovski, Rafael L. H. Freire, 2015, Physical chemistry chemical physics : PCCP.

Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters.

Karla F. Andriani, J. L. D. Da Silva, Priscilla Felício-Sousa, 2021, Physical chemistry chemical physics : PCCP.

Adsorption of CO, NO, and H2 on the PdnAu55–n Nanoclusters: A Density Functional Theory Investigation within the van der Waals D3 Corrections

Krys E. A. Batista, J. L. D. Da Silva, M. Piotrowski, 2019, The Journal of Physical Chemistry C.

Ab Initio Study of the C–O Bond Dissociation in CO2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, L. G. Verga, 2021, The Journal of Physical Chemistry C.

Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2,CO,NO,CO2, NO2 , and CH4 on the van der Waals layered Sn3O4 semiconductor

M. Orlandi, J. L. D. Da Silva, Rafael L. H. Freire, 2020, Physical Review Materials.

Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study

R. A. Mendes, L. G. Dias, J. L. D. Da Silva, 2023, Carbon.

Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media

H. Varela, Samaneh Shahgaldi, J. L. D. Da Silva, 2022, Journal of Electroanalytical Chemistry.

Insights into the Alloy-support Synergistic Effects for the CO2 Hydrogenation towards Methanol on Oxide-supported Ni5Ga3 Catalysts: An Experimental and DFT Study

Vivianne K. Ocampo-Restrepo, E. Assaf, J. Assaf, 2021, Applied Catalysis B: Environmental.

Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation.

J. L. D. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, 2019, Physical chemistry chemical physics : PCCP.

Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2

J. L. D. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, 2018, The Journal of Physical Chemistry C.

Comparative study of van der Waals corrections to the bulk properties of graphite

Luiz N. Oliveira, J. L. D. Da Silva, P. Tereshchuk, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Transition-metal 13-atom clusters assessed with solid and surface-biased functionals.

J. L. D. Da Silva, M. Piotrowski, P. Piquini, 2011, The Journal of chemical physics.

Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries

Tuanan C. Lourenço, L. G. Dias, J. L. D. Da Silva, 2021 .

Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures

J. L. D. Da Silva, S. Rufo, A. C. Dias, 2023, Computational Materials Science.

Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters.

J. L. D. Da Silva, R. Passos, Paulo C. D. Mendes, 2021, Physical chemistry chemical physics : PCCP.

Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency

J. L. D. Da Silva, H. Bragança, A. C. Dias, 2021 .

The role of charge states in the atomic structure of Cu(n) and Pt(n) (n = 2-14 atoms) clusters: a DFT investigation.

Gustavo G. Rondina, J. L. D. Da Silva, P. Tereshchuk, 2014, The journal of physical chemistry. A.

Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures

Shengbai Zhang, Zeyu Jiang, D. West, 2021, 2D Materials.

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters.

J. L. D. Da Silva, Diego Guedes-Sobrinho, A. S. Chaves, 2017, The Journal of chemical physics.

Understanding the clean interface between covalent Si and ionic Al2O3.

Su-Huai Wei, H J Xiang, H. Xiang, 2009, Physical review letters.

Optical and dielectric properties of lead perovskite and iodoplumbate complexes: an ab initio study.

J. L. D. Da Silva, Mailde S. Ozório, M. Srikanth, 2020, Physical chemistry chemical physics : PCCP.

Stacking Order Effects on the Electronic and Optical Properties of Graphene/Transition Metal Dichalcogenide Van der Waals Heterostructures

J. L. D. Da Silva, Rafael Besse, J. Silveira, 2021 .

Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys

J. L. D. Da Silva, A. C. Dias, M. P. Lima, 2023, ACS Applied Energy Materials.

Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2.

J. L. D. Da Silva, L. G. Verga, Paulo C. D. Mendes, 2021, Physical chemistry chemical physics : PCCP.

The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, L. G. Verga, 2021 .

The Mackay-Type Cluster [Cu43 Al12 ](Cp*)12 : Open-Shell 67-Electron Superatom with Emerging Metal-Like Electronic Structure.

R. Fischer, J. L. D. Da Silva, J. Saillard, 2018, Angewandte Chemie.

Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces.

J. L. D. Da Silva, R. Passos, Paulo C. D. Mendes, 2020, Physical chemistry chemical physics : PCCP.

The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface

J. L. D. Da Silva, M. P. Lima, Israel S. Torres, 2023, The Journal of Physical Chemistry C.

A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt.

Krys E. A. Batista, J. L. D. Da Silva, A. S. Chaves, 2016, The Journal of chemical physics.

Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene.

J. L. D. Da Silva, Naidel A. M. S. Caturello, Julian F R V Silveira, 2020, Physical chemistry chemical physics : PCCP.

Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu13, Pt7Cu6, and Pt13.

J. L. D. Da Silva, Diego Guedes-Sobrinho, A. S. Chaves, 2015, The journal of physical chemistry. A.

Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites

J. L. D. Da Silva, P. I. R. Moraes, Albert F. B. Bittencourt, 2023, The Journal of Physical Chemistry C.

Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties.

Gustavo G. Rondina, J. L. D. Da Silva, H. M. Cezar, 2019, The Journal of chemical physics.

Ab initio investigation of quantum size effects on the adsorption of CO2, CO, H2O, and H2 on transition-metal particles.

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, Paulo C. D. Mendes, 2020, Physical chemistry chemical physics : PCCP.

Hybrid functionals applied to rare-earth oxides: The example of ceria

Georg Kresse, Joachim Sauer, M. V. Ganduglia-Pirovano, 2007 .

The Role of Low-Coordinated Sites on the Adsorption of Glycerol on Defected Ptn/Pt(111) Substrates: A Density Functional Investigation within the D3 van der Waals Correction

J. L. D. Da Silva, Y. Seminovski, P. Tereshchuk, 2017 .

Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface

Karla F. Andriani, J. L. D. Da Silva, P. I. R. Moraes, 2023, The Journal of Physical Chemistry C.

First-Principles Exploration of Two-Dimensional Transition Metal Dichalcogenides Based on Fe, Co, Ni, and Cu Groups and Their van der Waals Heterostructures

J. L. D. Da Silva, Rafael Besse, M. P. Lima, 2019 .

Interplay between structure asymmetry, defect-induced localization, and spin-orbit interaction in Mn-doped quantum dots

J. L. D. Da Silva, G. Marques, L. Cabral, 2017 .

Formation of the cerium orthovanadate CeVO4 : DFT+ U study

M. V. Ganduglia-Pirovano, J. Sauer, J. L. D. Da Silva, 2007 .

Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters.

Vivianne K. Ocampo-Restrepo, J. L. D. Da Silva, Matheus N. Collacique, 2022, The Journal of chemical physics.

Quantum Monte Carlo study of small aluminum clusters Al n ( n = 2 –13)

J. L. D. Da Silva, G. Hai, L. Cândido, 2012 .

The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13.

J. L. D. Da Silva, L. Cândido, M. Piotrowski, 2011, Physical chemistry chemical physics : PCCP.

Underlying mechanisms of gold nanoalloys stabilization.

J. L. D. Da Silva, B. R. Galvão, L. R. da Silva, 2023, The Journal of chemical physics.

The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction

J. L. D. Da Silva, Yunzhe Wang, L. G. Verga, 2023, Catalysis Science & Technology.

Ab Initio Insights into the Formation Mechanisms of 55-Atom Pt-Based Core–Shell Nanoalloys

Krys E. A. Batista, J. L. D. Da Silva, J. Mucelini, 2020 .

Corrigendum: Comparative study of van der Waals corrections to the bulk properties of graphite (2015 J. Phys.: Condens. Matter 27 415502)

Luiz N. Oliveira, J. L. D. Da Silva, P. Tereshchuk, 2016 .

Multi-component transparent conducting oxides: progress in materials modelling

A. Walsh, J. L. D. Da Silva, S. Wei, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Rules of structure formation for the homologous InMO3(ZnO)n compounds.

Yanfa Yan, J. L. D. Da Silva, S. Wei, 2008, Physical review letters.

Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force

Tuanan C. Lourenço, J. L. D. Da Silva, Leonardo J.A. Siqueira, 2023, Electrochimica Acta.

The Mackay-Type Cluster [Cu43 Al12 ](Cp*)12 : Open-Shell 67-Electron Superatom with Emerging Metal-Like Electronic Structure.

J. L. D. Da Silva, J. Saillard, C. Gemel, 2018, Angewandte Chemie.

Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries.

Tuanan C. Lourenço, J. L. D. Da Silva, C. Anchieta, 2024, Small.

Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures

J. L. D. Da Silva, M. P. Lima, Anderson Janotti, 2024, The Journal of Physical Chemistry C.

Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm

J. L. D. Da Silva, Y. Seminovski, Diego Guedes-Sobrinho, 2018, The Journal of Physical Chemistry C.