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Refinado por: Base de dados/Biblioteca: BACON - Mir@bel - GLOBAL_LIBRESACCES remover assunto: Density Functional Theory remover
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Exposure of mass-selected bimetallic Pt-Ti nanoalloys to oxygen explored using scanning transmission electron microscopy and density functional theory
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Exposure of mass-selected bimetallic Pt-Ti nanoalloys to oxygen explored using scanning transmission electron microscopy and density functional theory

Gholhaki, Saeed ; Hung, Shih-Hsuan ; Cant, David J. H ; Blackmore, Caroline E ; Shard, Alex G ; Guo, Quanmin ; McKenna, Keith P ; Palmer, Richard E

RSC advances, 2018-01, Vol.8 (48), p.27276-27282 [Periódico revisado por pares]

England: Royal Society of Chemistry

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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
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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 Victor Frutuoso ; Andrés, Juan ; San-Miguel, Miguel Angel

Frontiers in chemistry, 2022-03, Vol.10, p.852196-852196 [Periódico revisado por pares]

Frontiers Media S.A

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3
Ferromagnetism in Defected TMD (MoX2, X = S, Se) Monolayer and Its Sustainability under O2, O3, and H2O Gas Exposure: DFT Study
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Ferromagnetism in Defected TMD (MoX2, X = S, Se) Monolayer and Its Sustainability under O2, O3, and H2O Gas Exposure: DFT Study

Devi, Anjna ; Dhiman, Neha ; Kumar, Narender ; Alfalasi, Wadha ; Kumar, Arun ; Ahluwalia, P. K. ; Singh, Amarjeet ; Tit, Nacir

Nanomaterials (Basel, Switzerland), 2023-05, Vol.13 (10), p.1642 [Periódico revisado por pares]

Basel: MDPI AG

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