Publications by authors named "Julio R Sambrano"

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First-principles and machine learning investigation of the structural and optoelectronic properties of dodecaphenylyne: a novel carbon allotrope.
Kleuton A L Lima, José A S Laranjeira, Nicolas F Martins, Julio R Sambrano, Alexandre C Dias

Nanoscale· December 2025

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Electronic, optical, and mechanical properties of novel h-C N and h-C N carbon nitride monolayers from first principles.
Jose A S Laranjeira, Kleuton A L Lima, Nicolas F Martins, Bill D Aparicio-Huacarpuma, Luiz A Ribeiro Junior, Julio R Sambrano

J Mol Model· November 2025

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Theoretical Prediction of 2D YCTI (T = Br, Cl, F, H) Janus MXene Monolayers for Photovoltaic Applications.
Bill D Aparicio-Huacarpuma, Calos M de Oliveira Bastos, José A S Laranjeira, Fábio L L Mendonça, Alysson M Almeida Silva, Julio R Sambrano

ACS Omega· October 2025

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Ni-Doped SnO Microplates for Carbon Monoxide Gas Detection.
Giuliana Giulietti, Miguel D Sanchez, Elson Longo, Marcelo Assis, Anderson Albuquerque, Julio R Sambrano

ACS Omega· October 2025

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Exploring Symmetry-Independent Configurations in KTaNbO Solid Solutions: A First-Principles, QTAIM, and AIMD Approach.
Jeronimo F Silva, Ismael D Souto, Julio Ricardo Sambrano, Anderson Reis Albuquerque, Ary S Maia

ACS Omega· October 2025

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Adsorption of H S and SO in IRMOF-1: a computational study using DFT and GCMC simulations.
Isaac O M Magalhães, Nailton Martins Rodrigues, Daniel F Scalabrini Machado, José A S Laranjeira, Julio R Sambrano

J Mol Model· October 2025

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TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage.
José A S Laranjeira, Nicolas F Martins, Kleuton Antunes Lopes Lima, Luis A Cabral, Luiz A Ribeiro Júnior, Julio R Sambrano

ACS Omega· August 2025

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Enhancing SO and NO Gas Sensing Using ZnCdO‑Based Porous Nanosheets: A DFT Perspective.
Warda Elaggoune, Nicolas F Martins, Julio R Sambrano, Yusuf Zuntu Abdullahi

ACS Omega· August 2025

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Optical properties of sarcosine crystal under hydrostatic pressure: a DFT-based computational study.
Geanso M de Moura, Sérgio Alves de Azevedo, Julio Ricardo Sambrano, Mateus R Lage, Adenilson O Dos Santos

Phys Chem Chem Phys· July 2025

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Penta-Octa BCN: A New 2D Material for High-Performance Energy Applications.
Xihao Chen, Jiazhuo Wang, Nicolas F Martins, Julio R Sambrano, José A S Laranjeira

Langmuir· March 2025

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Codoped germanene with 3p and 4p elements elements.
Pablo A Denis, Jose A S Laranjeira, Nicolas F Martins, Julio R Sambrano

J Mol Model· September 2024

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Novel Janus gamma-Pb XY monolayers with high thermoelectric performance X=S, Se and Y=Se, Te X Y.
Efracio Mamani Flores, Victor José Ramirez Rivera, Fredy Mamani Gonzalo, Jose Ordonez-Miranda, Julio R Sambrano

Sci Rep· July 2024

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Theoretical Characterization of Germanene Doped with Main Group Elements.
Pablo A Denis, Jose A S Laranjeira, Julio R Sambrano

Chemphyschem· June 2024

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Covalent functionalization of germanene employing computational simulations.
Pablo A Denis, Jose A S Laranjeira, Julio R Sambrano

Phys Chem Chem Phys· May 2024

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Novel octa-graphene-like structures based on GaP and GaAs.
José A S Laranjeira, Nicolas F Martins, Sérgio A Azevedo, Guilherme S L Fabris, Julio R Sambrano

J Mol Model· June 2023

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TopIso3D : Enhancing Topological Analysis through 3D Isosurfaces.
Jeronimo F Silva, Guilherme S L Fabris, Julio R Sambrano, Anderson R Albuquerque, Ary S Maia

J Chem Inf Model· April 2023

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Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials.
Naiara L Marana, Julio R Sambrano, Silvia Casassa

Nanomaterials (Basel)· December 2022

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Unconventional Disorder by Femtosecond Laser Irradiation in FeO.
Josiane C Souza, Renan A P Ribeiro, Letícia G da Trindade, Regiane C de Oliveira, Leonardo D Costa, Julio R Sambrano

ACS Omega· October 2021

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Unveiling the Structural Behavior under Pressure of Filled MCoSb (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites.
João Elias F S Rodrigues, Javier Gainza, Federico Serrano-Sánchez, Mateus M Ferrer, Guilherme S L Fabris, Julio R Sambrano

Inorg Chem· May 2021

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Ab Initio Modeling of MultiWall: A General Algorithm First Applied to Carbon Nanotubes.
Naiara Leticia Marana, Yves Noel, Julio Ricardo Sambrano, Chiara Ribaldone, Silvia Casassa

J Phys Chem A· May 2021

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Role of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFeO Nanoparticles: Theoretical and Experimental Insights.
Regiane Cristina de Oliveira, Renan Augusto Pontes Ribeiro, Guilherme Henrique Cruvinel, Rafael Aparecido Ciola Amoresi, Maria Helena Carvalho, Julio Ricardo Sambrano

ACS Appl Mater Interfaces· January 2021

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Intra-octahedral distortion on lamellar potassium niobate KNbO: a periodic DFT study of structural, electronic and vibrational properties.
Juliana Kelly D Souza, Thiago M Duarte, Iêda Maria Garcia Dos Santos, Júlio Ricardo Sambrano, Ary da Silva Maia

Phys Chem Chem Phys· August 2020

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Probing the Site-Selective Doping in SrSnO:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations.
Laís Chantelle, André L Menezes de Oliveira, Brendan J Kennedy, Jefferson Maul, Márcia R S da Silva, Julio R Sambrano

Inorg Chem· June 2020

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Quantitative evaluation of the surface stability and morphological changes of CuO particles.
Mateus M Ferrer, Guilherme S L Fabris, Bruno V de Faria, João B L Martins, Mário L Moreira, Julio R Sambrano

Heliyon· October 2019

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Piezoelectric Response of Porous Nanotubes Derived from Hexagonal Boron Nitride under Strain Influence.
Guilherme S L Fabris, Naiara L Marana, Elson Longo, Julio R Sambrano

ACS Omega· October 2018

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