Search Results - "de Jesus Gomes Varela Júnior, Jaldyr"

Density Functional Theory Study of Cu-Modified B12N12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas by Pereira Silva, Adilson Luís, Varela Júnior, Jaldyr de Jesus Gomes

“…The development of efficient B12N12-based toxic gas sensors has received considerable attention from the scientific community. Thus, in this regard, quantum…”
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Carbon monoxide interaction with B12N12 nanocage with and without an external electric field: a DFT study by Silva, Adilson Luís Pereira, de Jesus Gomes Varela Júnior, Jaldyr

“…The interactions between carbon monoxide (CO) gas and boron nitride (B 12 N 12 ) nanocage, in the absence and presence of an external electric field, were…”
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Galvanic replacement managing direct methanol fuel cells: AgPt nanotubes as a strategy for methanol crossover effect tolerance by França, Mesaque Carvalho, Ferreira, Rayse Machado, dos Santos Pereira, Fellipe, e Silva, Felipe Anchieta, Silva, Augusto César Azevedo, Cunha, Lysia Catarina Silva, Varela Júnior, Jaldyr de Jesus Gomes, de Lima Neto, Pedro, Takana, Auro Atsushi, Rodrigues, Thenner Silva, Garcia, Marco Aurélio Suller

“…The methanol crossover effect severely reduces the efficiency of d irect m ethanol f uel c ells once it affects the o xygen r eduction r eaction (ORR) that…”
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MB11N12 (M = Fe–Zn) Nanocages for Cyanogen Chloride Detection: A DFT Study by Silva, Adilson Luís Pereira, Varela Júnior, Jaldyr de Jesus Gomes

“…The development of sensors for hazardous gases based on metal-modified B 12 N 12 nanocages has attracted the attention of researchers. In this theoretical…”
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Theoretical study of putrescine and X12Y12 (X=Al, B and Y=N, P) nanocage interactions by Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, Navis, Caleb Nathan, de Jesus Gomes Varela Júnior, Jaldyr

“…A theoretical study on the interactions between X 12 Y 12 nanocages (Al 12 N 12 , Al 12 P 12 , B 12 N 12 , and B 12 P 12 ) and putrescine molecule (Put) is…”
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Application of AgPt Nanoshells in Direct Methanol Fuel Cells: Experimental and Theoretical Insights of Design Electrocatalysts over Methanol Crossover Effect by Rangel de Melo Rodrigues, Makson, Machado Ferreira, Rayse, Santos Pereira, Fellipe, Anchieta e Silva, Felipe, César Azevedo Silva, Augusto, Aguilar Vitorino, Hector, Jesus Gomes Varela Júnior, Jaldyr, Atsushi Tanaka, Auro, Aurélio Suller Garcia, Marco, Silva Rodrigues, Thenner

“…Based on theoretical simulations, the best design for obtaining AgPt nanostructures (nanoshells with hollow interior) was unraveled that could exhibit methanol…”
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Putrescine adsorption on pristine and Cu-decorated B12N12 nanocages: A density functional theory study by Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, Varela Júnior, Jaldyr de Jesus Gomes

“…[Display omitted] •The interaction of putrescine on the B12N12and Cu-decorated (Cu@b64and Cu@b66) nanocages were studied using DFT calculations.•Decoration of…”
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Advances in Selective Detection of Cadaverine by Electronic, Optical, and Work Function Sensors Based on Cu-Modified B12N12 and Al12N12 Nanocages: A Density Functional Theory (DFT) Study by de Sousa Sousa, Natanael, Pereira Silva, Rafael, de Jesus Gomes Varela Júnior, Jaldyr, Pereira Maciel, Adeilton

“…This work explores Cu-modified B12N12 and Al12N12 nanocages for cadaverine diamine (Cad) detection using advanced density functional theory (DFT) calculations…”
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DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1 by De Sousa Sousa, Natanael, Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, de Jesus Gomes Varela Júnior, Jaldyr

“…The present study explores the modification of B 12 N 12 nanocages with first-row transition metals (3d TM atoms) in the configurations: doped (TMB 11 N 12 , B…”
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DFT Analysis of Dynamic, Charge, and TD-DFT Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2 by De Sousa Sousa, Natanael, Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, de Jesus Gomes Varela Júnior, Jaldyr

“…Due to its distinctive properties and semiconducting characteristics, B 12 N 12 has been the subject of many studies in the field of nanoscience, as it is a…”
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Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand by Silva, Adilson Luís Pereira, de Almeida, Luciano Farias, Marques, Aldaléa Lopes Brandes, Costa, Hawbertt Rocha, Tanaka, Auro Atsushi, da Silva, Albérico Borges Ferreira, de Jesus Gomes Varela Júnior, Jaldyr

“…Density functional theory (DFT) was used to examine the interaction between molecular oxygen (O 2 ) and macrocyclic iron complexes of the type FeN 4 during the…”
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Theoretical studies with B12N12 as a toxic gas sensor: a review by Silva, Adilson Luís Pereira, de Sousa Sousa, Natanael, de Jesus Gomes Varela Júnior, Jaldyr

“…This systematic review presents an overview, from 2011 to 2022, of how pure B 12 N 12 and B 12 N 12 -modified nanocages have been used to detect toxic gases…”
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Density Functional Theory Study of Cu-Modified B 12 N 12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas by Pereira Silva, Adilson Luís, Varela Júnior, Jaldyr de Jesus Gomes

“…The development of efficient B N -based toxic gas sensors has received considerable attention from the scientific community. Thus, in this regard, quantum…”
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Advances in Selective Detection of Cadaverine by Electronic, Optical, and Work Function Sensors Based on Cu-Modified B 12 N 12 and Al 12 N 12 Nanocages: A Density Functional Theory (DFT) Study by de Sousa Sousa, Natanael, Pereira Silva, Rafael, de Jesus Gomes Varela Júnior, Jaldyr, Pereira Maciel, Adeilton

“…This work explores Cu-modified B N and Al N nanocages for cadaverine diamine (Cad) detection using advanced density functional theory (DFT) calculations. The…”
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DFT study of TM (Sc – Zn) modified B12N12 nanocage as sensor for N2O gas selective detection by de Sousa Sousa, Natanael, da Conceição Lobato do Nascimento, Wellington, Silva, Adilson Luís Pereira, de Jesus Gomes Varela Júnior, Jaldyr

“…Nitrous oxide (N2O) is a toxic gas which has worrying environmental effects. In addition to its role as a greenhouse gas, N2O can also contribute to the…”
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Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study by de Sousa Sousa, Natanael, Silva, Adilson Luís Pereira, Silva, Augusto Cesar Azevedo, de Jesus Gomes Varela Júnior, Jaldyr

“…This work studied the adsorption of nitrogen monoxide gas on Cu-modified B 12 N 12 nanocage as a chemical sensor application. We performed quantum chemical…”
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A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters by Leite, Francinaldo Dos Santos, Silva, Augusto C. A., Caetano, Caio V., Silva, Adilson L. P., Varela, Jaldyr Gomes

“…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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Enhanced Oxygen Reduction Reaction Via Oxygen Vacancy‐Rich Silica‐Supported Ag/Pd Nanoshells by dos Santos Pereira, Fellipe, Anchieta e Silva, Felipe, Azevedo Silva, Augusto César, de Jesus Gomes Varela Júnior, Jaldyr, Mateus Pinatti, Ivo, Rojas, Alex, Mantilla, Angeles, Alcântara, Ana C. S., Baraldi Dourado, Andre Henrique, Tofanello, Aryane, Atsushi Tanaka, Auro, Silva Rodrigues, Thenner, Suller Garcia, Marco Aurélio

“…Herein, we demonstrated the fine‐tuning of catalysts’ active phase by employing AgPd nanoshells with distinct Ag/Pd ratios synthesized via a galvanic…”
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Front Cover: Application of AgPt Nanoshells in Direct Methanol Fuel Cells: Experimental and Theoretical Insights of Design Electrocatalysts over Methanol Crossover Effect (ChemCatChem 23/2022) by Rangel de Melo Rodrigues, Makson, Machado Ferreira, Rayse, Santos Pereira, Fellipe, Anchieta e Silva, Felipe, César Azevedo Silva, Augusto, Aguilar Vitorino, Hector, Jesus Gomes Varela Júnior, Jaldyr, Atsushi Tanaka, Auro, Aurélio Suller Garcia, Marco, Silva Rodrigues, Thenner

“…The Front Cover shows that nanoengineering is a breakthrough way to look at the electrocatalysis field under a different perspective. In their Research…”
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A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters by Francinaldo dos Santos Leite, Augusto César Azevedo Silva, Caio Vinícius Caetano, Adilson Luís Pereira Silva, Jaldyr de Jesus Gomes Varela Júnior

“…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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