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Nanostructures Cluster Models in Solution: Extension to C, BC2N, and BN Fullerenes, Tubes, and Cones

Nanostructures Cluster Models in Solution: Extension to C, BC2N, and BN Fullerenes, Tubes, and Cones

Francisco Torrens, Gloria Castellano
Copyright: © 2014 |Pages: 33
ISBN13: 9781466662520|ISBN10: 1466662522|EISBN13: 9781466662537
DOI: 10.4018/978-1-4666-6252-0.ch012
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MLA

Torrens, Francisco, and Gloria Castellano. "Nanostructures Cluster Models in Solution: Extension to C, BC2N, and BN Fullerenes, Tubes, and Cones." Contemporary Advancements in Information Technology Development in Dynamic Environments, edited by Mehdi Khosrow-Pour, D.B.A., IGI Global, 2014, pp. 221-253. https://doi.org/10.4018/978-1-4666-6252-0.ch012

APA

Torrens, F. & Castellano, G. (2014). Nanostructures Cluster Models in Solution: Extension to C, BC2N, and BN Fullerenes, Tubes, and Cones. In M. Khosrow-Pour, D.B.A. (Ed.), Contemporary Advancements in Information Technology Development in Dynamic Environments (pp. 221-253). IGI Global. https://doi.org/10.4018/978-1-4666-6252-0.ch012

Chicago

Torrens, Francisco, and Gloria Castellano. "Nanostructures Cluster Models in Solution: Extension to C, BC2N, and BN Fullerenes, Tubes, and Cones." In Contemporary Advancements in Information Technology Development in Dynamic Environments, edited by Mehdi Khosrow-Pour, D.B.A., 221-253. Hershey, PA: IGI Global, 2014. https://doi.org/10.4018/978-1-4666-6252-0.ch012

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Abstract

The existence of Single-Wall C-Nanocones (SWNCs), especially nanohorns (SWNHs), and BC2N/Boron Nitride (BN) analogues in cluster form is discussed in solution in this chapter. Theories are developed based on models bundlet and droplet describing size-distribution function. The phenomena present unified explanation in bundlet in which free energy of (BC2N/BN-)SWNCs involved in cluster is combined from two parts: volume one proportional to the number of molecules n in cluster and surface one, to n1/2. Bundlet enables describing distribution function of (BC2N/BN-)SWNC clusters by size. From geometrical differences bundlet [(BC2N/BN-)SWNCs] and droplet (C60/B15C30N15/B30N30) predict dissimilar behaviours. Various disclination (BC2N/BN-)SWNCs are studied via energetic and structural analyses. Several (BC2N/BN-)SWNC's ends are studied that are different because of closing structure and arrangement type. Packing efficiencies and interaction-energy parameters of (BC2N/BN-)SWNCs/SWNHs are intermediate between C60/B15C30N15/B30N30 and (BC2N/BN-)Single-Wall C-Nanotube (SWNT) clusters: in-between behaviour is expected; however, properties of (BC2N/BN-)SWNCs, especially (BC2N/BN-)SWNHs, are calculated closer to (BC2N/BN-)SWNTs. Structural asymmetry in different (BC2N/BN-)SWNCs characterized by cone angle distinguishes properties of types: P2. BC2N/BN, especially species isoelectronic with C-analogues may be stable.

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