On a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation
Malik, Anum Shahid, Liu, Taifeng, Rittiruam, Meena, Saelee, Tinnakorn, Da Silva, Juarez L. F., Praserthdam, Supareak, Praserthdam, Piyasan
Published in Scientific reports (16.02.2022)
Published in Scientific reports (16.02.2022)
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Journal Article
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface
Bartaquim, Eduardo O, Bezerra, Raquel C, Bittencourt, Albert F. B, Da Silva, Juarez L. F
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
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Journal Article
Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization
Saelee, Tinnakorn, Sitthijun, Pichayapong, Ngamlaor, Chinanang, Kerdprasit, Nuttapat, Rittiruam, Meena, Khajondetchairit, Patcharaporn, Da Silva, Juarez L. F., Buasuk, Nichakorn, Praserthdam, Piyasan, Praserthdam, Supareak
Published in Scientific reports (01.08.2024)
Published in Scientific reports (01.08.2024)
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Journal Article
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
Bezerra, Raquel C, Mendonça, João Paulo A. de, Mendes, Paulo C. D, Passos, Raimundo R, Da Silva, Juarez L. F
Published in Physical chemistry chemical physics : PCCP (28.08.2021)
Published in Physical chemistry chemical physics : PCCP (28.08.2021)
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Journal Article
The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13
PIOTROWSKI, Mauricio J, PIQUINI, Paulo, CANDIDO, Ladir, DA SILVA, Juarez L. F
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Contrasting Structure and Bonding of a Copper-Rich and a Zinc-Rich Intermetalloid Cu/Zn Cluster
Schütz, Max, Muhr, Maximilian, Freitag, Kerstin, Gemel, Christian, Kahlal, Samia, Saillard, Jean-Yves, Da Silva, Augusto C. H, Da Silva, Juarez L. F, Fässler, Thomas F, Fischer, Roland A
Published in Inorganic chemistry (06.07.2020)
Published in Inorganic chemistry (06.07.2020)
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Journal Article
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n = 2-15): a density functional theory investigation
Chaves, Anderson S, Piotrowski, Maurício J, Da Silva, Juarez L F
Published in Physical chemistry chemical physics : PCCP (2017)
Published in Physical chemistry chemical physics : PCCP (2017)
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Journal Article
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
Pinheiro, Gabriel A, Mucelini, Johnatan, Soares, Marinalva D, Prati, Ronaldo C, Da Silva, Juarez L. F, Quiles, Marcos G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.11.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.11.2020)
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Journal Article
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles
Muhr, Maximilian, Stephan, Johannes, Staiger, Lena, Hemmer, Karina, Schütz, Max, Heiß, Patricia, Jandl, Christian, Cokoja, Mirza, Kratky, Tim, Günther, Sebastian, Huber, Dominik, Kahlal, Samia, Saillard, Jean-Yves, Cador, Olivier, Da Silva, Augusto C H, Da Silva, Juarez L F, Mink, Janos, Gemel, Christian, Fischer, Roland A
Published in Communications chemistry (13.02.2024)
Published in Communications chemistry (13.02.2024)
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Journal Article
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study
Lourenço, Tuanan C, Ebadi, Mahsa, Brandell, Daniel, Da Silva, Juarez L. F, Costa, Luciano T
Published in The journal of physical chemistry. B (29.10.2020)
Published in The journal of physical chemistry. B (29.10.2020)
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Journal Article
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
Felício-Sousa, Priscilla, Andriani, Karla F, Juarez L F Da Silva
Published in Physical chemistry chemical physics : PCCP (14.04.2021)
Published in Physical chemistry chemical physics : PCCP (14.04.2021)
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