Document
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Journal of Physics and Chemistry of Solids
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publication venue for: Hollow structures of TinOm systems with m ≈ 2n: A density functional theoretical study

Hollow structures of TinOm systems with m ≈ 2n: A density functional theoretical study
e iscopus: 2-s2.0-85125458392
most specific type: Article
crisid: 9996
most specific type: Document
date time value: article date 9996
type: Article
related by: authorship_69191
estado: published
related by: authorship_69193
type: Document
artnum: 110646
type: Entity
origen: scopus
type: Generically Dependent Continuant
freetext keyword: DFT calculations; Electronic properties; Oxides transition metal clusters; Structural properties Density functional theory; Electronic properties; Medical applications; Stability criteria; Transition metal oxides; Transition metals; Density functionals; DFT calculation; Hollow particle; Hollow structure; M-system; Oxide transition metal cluster; Stoichiometric structure; Theoretical calculations; Theoretical study; Transition-metal clusters; Binding energy
related by: authorship_69192
type: Continuant
abstract: We performed density-functional-theoretical calculations of almost stoichiometric structures of hollow cages of TinOm systems with m ≈ 2n. We study the stability of TinOm hollow particles of different sizes and shapes for systems between 80 and 110 atoms using the binding energy as stability criterion. These cages could be useful in electrochemiluminescenece sensors, energy systems, encapsulation of beauty ingredients, and even in biomedical applications. Our results suggest the possible existence of such structures in a great variety of geometrical shapes with small binding energy differences among them, thus presenting a very dense spectrum of possible metastable configurations. Different initial seeds converge to the same final structures, which is also a signature for stability. These results are along the line of experiments in larger size systems, which demonstrate the feasibility of these structures without apparent size limitations. © 2022 Elsevier Ltd
type: Thing
has funding vehicle: Comisión Nacional de Investigación Científica y Tecnológica, CONICYT: AFB180001; Fondo Nacional de Desarrollo Científico y Tecnológico, FONDECYT: 1190036, 1200302
type: Information Content Entity
has publication venue: Journal of Physics and Chemistry of Solids
doi: 10.1016/j.jpcs.2022.110646
volume: 164

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RDF description of Hollow structures of TinOm systems with m ≈ 2n: A density functional theoretical study - http://orbis.uaslp.mx/vivo/individual/scopus9995
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date: 2026-08-25T06:58:14
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Article
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Comisión Nacional de Investigación Científica y Tecnológica, CONICYT: AFB180001; Fondo Nacional de Desarrollo Científico y Tecnológico, FONDECYT: 1190036, 1200302
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funding vehicle for: Hollow structures of TinOm systems with m ≈ 2n: A density functional theoretical study