Display options
Cite
Arvanitidis AG, Tai TB, Nguyen MT, et al. Quantum rules for planar boron nanoclusters. Phys Chem Chem Phys. 2014;16(34):18311-8doi: 10.1039/c4cp02323d.
Arvanitidis, A. G., Tai, T. B., Nguyen, M. T., & Ceulemans, A. (2014). Quantum rules for planar boron nanoclusters. Physical chemistry chemical physics : PCCP, 16(34), 18311-8. https://doi.org/10.1039/c4cp02323d
Arvanitidis, Athanasios G, et al. "Quantum rules for planar boron nanoclusters." Physical chemistry chemical physics : PCCP vol. 16,34 (2014): 18311-8. doi: https://doi.org/10.1039/c4cp02323d
Arvanitidis AG, Tai TB, Nguyen MT, Ceulemans A. Quantum rules for planar boron nanoclusters. Phys Chem Chem Phys. 2014 Sep 14;16(34):18311-8. doi: 10.1039/c4cp02323d. PMID: 25059906.
Copy Download .nbib Format: NLM
Share it on

Phys Chem Chem Phys. 2014 Sep 14;16(34):18311-8. doi: 10.1039/c4cp02323d.

Quantum rules for planar boron nanoclusters.

Physical chemistry chemical physics : PCCP

Athanasios G Arvanitidis, Truong Ba Tai, Minh Tho Nguyen, Arnout Ceulemans

Affiliations

  1. Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. [email protected] [email protected].

PMID: 25059906 DOI: 10.1039/c4cp02323d

Abstract

This article presents the use of free particle models to obtain quantum rules for planar boron clusters, with nuclearities in the range from seven to twenty. The information obtained from the models is being compared with electronic structure calculations based on the DFT method. Separate rules for in-plane and out-of-plane bonding are derived. In-plane bonding is precise on the cluster boundary and forms a network of alternating triangular 3c-2e bonds on the inside. The out-of-plane bonding is strongly delocalized and only depends on the global shape and size of the cluster.

Publication Types