Listar por autoría "e9aec192-7e55-47fc-a864-3fcb7643ea4f"

Mostrando ítems 1-20 de 23

    • openAccess   A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation 

      da Silveira Lacerda, Luis Henrique; Longo, Elson; Andres, Juan; San-Miguel, Miguel A. Elsevier (2021-10-18)
      Ag-based semiconductors have been extensively employed as photocatalysts for several decades due to their excellent electronic properties, photochemical properties, and relatively low synthesis cost. In this work, the ...

    • closedAccess   A Tale of Reactive Oxygen Species on the Ag3PO4(110) Surface 

      Lipsky, Felipe; da Silveira Lacerda, Luis Henrique; Gracia, Lourdes; G Foschiani, Beatriz; Assis, Marcelo de; Oliva, Mónica; Longo, Elson; Andres, Juan; San-Miguel, Miguel A. American Chemical Society (2023-12-07)
      Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we ...

    • openAccess   A Theoretical Study on the Structural, Electronic, and Magnetic Properties of Bimetallic Pt13−nNin (N = 0, 3, 6, 9, 13) Nanoclusters to Unveil the Catalytic Mechanisms for the Water-Gas Shift Reaction 

      Barrionuevo, Manoel; Andres, Juan; San-Miguel, Miguel A. Frontiers Media (2022)
      In this work, first-principles calculations by using density functional theory at the GFN-xTB level, are performed to investigate the relative stability and structural, electronic, and magnetic properties of bimetallic ...

    • openAccess   Ag2WO4 as a multifunctional material: Fundamentals and progress of an extraordinarily versatile semiconductor 

      Gouveia, Amanda; Alvarez Roca, Roman; Guerra Macedo, Nadia; Cavalcante, Laécio Santos; Longo, Elson; San-Miguel, Miguel A.; Altomare, Angela; DA SILVA, GILMAR SILVÉRIO; Andres, Juan Elsevier (2022-11-18)
      Silver tungstate (Ag2WO4) based materials are intensively studied because of their unique chemical and physical properties. Ag2WO4 polymorphs present discrete and intrinsically complex architectures due to a multifaceted ...

    • openAccess   Bioactive Ag3PO4/Polypropylene Composites for Inactivation of SARS-CoV?2 and Other Important Public Health Pathogens 

      Ribeiro , Lara Kelly; Assis, Marcelo de; R. Lima, Lais; Coelho, Dyovani; Gonçalves, Mariana O.; Paiva, Robert; Moraes, Leonardo N; Fogaça de Almeida, Lauana; Lipsky, Felipe; San-Miguel, Miguel A.; Mascaro, Lucia; Grotto, Rejane Maria Tommasini; Sousa, Cristina P; Rosa, Ieda; Cruz, Sandra A; Andres, Juan; Longo, Elson American Chemical Society (2021-09-21)
      The current unprecedented coronavirus pandemic (COVID-19) is increasingly demanding advanced materials and new technologies to protect us and inactivate SARS-CoV-2. In this research work, we report the manufacture of Ag3PO4 ...

    • openAccess   Computational Modeling for the Ag Nanoparticle Coalescence Process: A Case of Surface Plasmon Resonance 

      Faccin, Giovani M.; San-Miguel, Miguel A.; Andres, Juan; Longo, Elson; da Silva, Edison American Chemical Society (2017-03)
      Motivated by recent transmission electron microscopy (TEM) experiments on α-Ag2WO4, the coalescence process of Ag nanoparticles (NPs) is investigated using molecular dynamics (MD) simulations. These Ag NPs are formed by ...

    • openAccess   Connecting morphology and photoluminescence emissions in β-Ag2MoO4 microcrystals 

      Teodoro , Vinícius; Gouveia, Amanda; Machado, Thales Rafael; Barrios Trench, Aline; jacomaci, natalia; Assis, Marcelo de; Marques, Gilmar Eugenio; Daldin Teodoro, Marcio; San-Miguel, Miguel A.; Andres, Juan; Bettini, Jefferson; Longo, Elson Elsevier (2021-10-23)
      This work elucidates the morphology-photoluminescence (PL) emission relationships, based on experimental and calculated results, on β-Ag2MoO4 samples synthesized by microwave-assisted hydrothermal method. It was shown that ...

    • openAccess   Connecting Theory with Experiment to Understand the Sintering Processes of Ag Nanoparticles 

      da Silva, Edison; Faccin, Giovani M.; Machado, Thales Rafael; Guerra Macedo, Nadia; Assis, Marcelo de; Maya Johnson, Santiago; Sczancoski, Júlio César; Andres, Juan; Longo, Elson; San-Miguel, Miguel A. American Chemical Society (2019-04)
      A complementary combination of long-time atomistic molecular dynamics simulations and real-time transmission electron microscopy (TEM) images has been utilized for unraveling, at an atomic resolution, the nature of the ...

    • openAccess   Disclosing the Biocide Activity of α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) Solid Solutions 

      Llusar, Rosa; Andres, Juan; Gouveia, Amanda; Guillamón, Eva; Sorribes, Iván; Pereira, Paula; Foggi, Camila Cristina; Pinatti, Ivo M; Cabral, Luís; San-Miguel, Miguel A.; Vergani, Carlos; Simões, Alexandre; Silva, Edison; Cavalcante, Laécio Santos; Longo, Elson MDPI (2022-09-11)
      n this work, α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) solid solutions with enhanced antibacterial (against methicillin-resistant Staphylococcus aureus) and antifungal (against Candida albicans) activities are reported. A plethora of ...

    • openAccess   Electron beam irradiation for the formation of thick Ag film on Ag3PO4 

      Costa, João Paulo; Assis, Marcelo de; Teodoro , Vinícius; Rodrigues, André; Foggi, Camila Cristina; San-Miguel, Miguel A.; Carmo, João; Andres, Juan; Longo, Elson Royal Society of Chemistry (2020)
      This study demonstrates that the electron beam irradiation of materials, typically used in characterizationmeasurements, could be employed for advanced fabrication, modification, and functionalization ofcomposites. We ...

    • openAccess   Elucidating the real-time Ag nanoparticle growth on a-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insights 

      Da Silva Pereira, Wyllamanney; Andres, Juan; Gracia, Lourdes; San-Miguel, Miguel A.; da Silva, Edison; Longo, Elson; Longo, V. M. Royal Society of Chemistry (2015)
      Why and how Ag is formed when electron beam irradiation takes place on α-Ag2WO4 in a vacuum transmission electron microscopy chamber? To find an answer, the atomic-scale mechanisms underlying the formation and growth of ...

    • openAccess   Evidence for the formation of metallic In after laser irradiation of InP 

      Cabral, Luís; Andres, Juan; Machado, Thales Rafael; Picinin, Adalberto; Rino, José Pedro; Lopez-Richard, Victor; Longo, Elson; Gouveia, Amanda; Marques, Gilmar Eugenio; da Silva, Edison; San-Miguel, Miguel A. AIP Publishing (2019-07-12)
      Structural and electronic changes induced by laser irradiation are currently of interest owing to the possibility to tune the mechanical, optical, and transport properties of the irradiated materials. In this work, we ...

    • closedAccess   Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first-principles calculations 

      Andres, Juan; Gouveia, Amanda; Gracia, Lourdes; Longo, Elson; Faccin, Giovani M.; da Silva, Edison; Henrique Pereira, Douglas; San-Miguel, Miguel A. Wiley (2017-12)
      The formation of Ag nanoparticles is currently a topic subject to a great deal of research because they are excellent materials with many technological applications. Recently, the formation of Ag nanoparticles on α‐Ag2WO4 ...

    • openAccess   Formation of Metallic Ag on AgBr by Femtosecond Laser Irradiation 

      Cabral, Luís; Andres, Juan; Longo, Elson; San-Miguel, Miguel A.; da Silva, Edison MDPI (2022-06-01)
      Laser irradiation of materials induces changes in their structure and functional properties. In this work, lattice heating and electronic excitation on silver bromide (AgBr), provoked by femtosecond laser irradiation, ...

    • openAccess   In situ growth of Ag nanoparticles on alpha-Ag2WO4 under electron irradiation: probing the physical principles 

      San-Miguel, Miguel A.; da Silva, Edison; Zanetti, Sonia M.; Cilense, Mário; Fabbro, Maria T.; Gracia, Lourdes; Andres, Juan; Longo, Elson IOP Publishing Ltd (2016-04)
      Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic ...

    • openAccess   Modulating the properties of multifunctional semiconductors by means of morphology: Theory meets experiments 

      Gouveia, Amanda; Gracia, Lourdes; Longo, Elson; San-Miguel, Miguel A.; Andres, Juan Elsevier (2021-02-15)
      Morphology control of multifunctional semiconductor materials is a significant topic since it directly impacts the physical and chemical properties in catalysis, photonics, energy conversion, and other applications. ...

    • openAccess   Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations 

      Gouveia, Amanda; Assis, Marcelo de; Ribeiro , Lara Kelly; Brandão Lima, Aline Estefany; de Oliveira Gomes, Eduardo; Souza, Daniele; Galvão Gobato, Yara; Rosa, Ieda; Luz Jr, Geraldo; Guillamón, Eva; Longo, Elson; Andres, Juan; San-Miguel, Miguel A. Elsevier (2022-10-15)
      In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is discussed ...

    • openAccess   Selective Synthesis of α-, β-, and γ-Ag2WO4 Polymorphs: Promising Platforms for Photocatalytic and Antibacterial Materials 

      Alvarez Roca, Roman; Gouveia, Amanda; Foggi, Camila Cristina; Santana Lemos, Pablo; Gracia, Lourdes; da Silva, Luís; Vergani, Carlos; San-Miguel, Miguel A.; Longo, Elson; Andres, Juan American Chemical Society (2021-01-18)
      Silver tungstate (Ag2WO4) shows structural polymorphism with different crystalline phases, namely, orthorhombic, hexagonal, and cubic structures that are commonly known as α, β, and γ, respectively. In this work, these ...

    • openAccess   Structure, optical properties, and photocatalytic activity of α-Ag2W0.75Mo0.25O4 

      Penha, M.D.; Gouveia, Amanda; Teixeira, Mayara Mondego; De Oliveira, R. C.; Assis, Marcelo de; Sambrano, J. R.; Yokaichya, F.; Santos, C. C.; Gonçalves, R. F.; Siu Li, Maximo; San-Miguel, Miguel A.; Andres, Juan; Longo, Elson Elsevier (2020-07-23)
      This article describes the synthesis of α-Ag2W0.75Mo0.25O4 using a coprecipitation method followed by microwave irradiation for different times. The samples were characterized using X-ray and neutron diffractions with ...

    • closedAccess   Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation 

      Assis, Marcelo de; Foggi, Camila Cristina; Teodoro , Vinícius; De Campos da Costa, Joao Paulo; Silva, Carlos Eduardo; Robeldo, Thaiane; Caperucci, Priscila Fernanda; Vergani, Carlos; Borra, Ricardo Carneiro; Sorribes, Iván; Gouveia, Amanda; San-Miguel, Miguel A.; Andres, Juan; Longo, Elson Elsevier (2021-04-15)
      In this work, we present a joint experimental and theoretical study towards unveiling the photocatalytic (photodegradation of Rhodamine B), the antifungal (towards Candida glabrata) and cytotoxicity (against the L929 cell ...