Work

The planar-to-tubular structural transition in boron clusters from optical absorption

Year: 2005

Type: article

Abstract: The optical response of the lowest-energy isomers of the B20 family is calculated using time-dependent density-functional theory within a real-space, real-time scheme. Significant differences are found among the absorption spectra of the clusters studied. We show that these differences can be easily related to changes in the overall geometry. Optical spectroscopy is thus an efficient tool to characterize the planar-to-tubular structural transition, known to be present in these boron-based systems.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.1948386

Authors: Miguel A. L. Marques, Silvana Botti

Institutions: Institut de minéralogie, de physique des matériaux et de cosmochimie, Université Pierre-et-Marie-Curie, Centre National de la Recherche Scientifique, École Polytechnique, Commissariat à l'Énergie Atomique et aux Énergies Alternatives, Laboratoire des Solides Irradiés

Language: English

Topic: Boron and Carbon Nanomaterials Research

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W1998765358

FWCI: 2.829

Cites: 44

Cited by: 51

Related to: 10