Search Results - "Silva, Augusto Cesar Azevedo"

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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A detailed theoretical study of the low-energy structures of Au–Ag bimetallic clusters by Silva, Augusto Cesar Azevedo, Caetano, Caio Vinicius, Silva, Adilson Luís Pereira, de Jesus Gomes Varela, Jaldyr

“…In this work, we explored the energetic landscape of Au–Ag bimetallic clusters with Au 3 Ag m , Au 4 Ag m , and Au 5 Ag m compositions (3 ≤ m ≤ 17) using the…”
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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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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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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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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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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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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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Correlating composition and electronic effects of self-assembled PtMo electrocatalysts for ethylene glycol oxidation: An experimental and theoretical approach by Diniz Coutinho, José William, Silva de Figueiredo, Patrick Benedito, Colmati, Flávio, Tofanello, Aryane, Nayra dos Santos Pereira, Laíse, Azevedo Silva, Augusto César, Suller Garcia, Marco Aurélio, Batista de Lima, Roberto

“…In recent years, there has been an increasing interest in using small organic molecules to convert chemical fuels into electrical energy. In this context,…”
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Electrooxidation of ethylene glycol using Ag-Pt nanotubes supported on silica: Correlating the unexpected O-vacancies creation with catalytic performance by dos Santos Pereira, Fellipe, Ferreira de Santana, Vanessa, Azevedo Silva, Augusto César, Tofanello, Aryane, Nothaft Romano, Pedro, Monnerat Araújo Ribeiro de Almeida, João, Silva Rodrigues, Thenner, de Araujo Rodrigues, Isaíde, Batista de Lima, Roberto, Suller Garcia, Marco Aurélio

“…Electrooxidation of small organic compounds is crucial in achieving clean and efficient energy production. In this context, ethylene glycol (EG) has attracted…”
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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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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 [Cu.sub.3][Ag.sub.m] Bimetallic Clusters by Leite, Francinaldo dos Santos, Silva, Augusto Cesar Azevedo, Caetano, Caio Vinicius, Silva, Adilson Luis Pereira, Varela, Jaldyr de Jesus Gomes, Jr

“…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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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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