Helical Carbon Segment in Carbon-Boron-Nitride Heteronanotubes: Structure and Nonlinear Optical Properties

• Published in: ChemPlusChem (Weinheim, Germany) Vol. 79; no. 5; pp. 732 - 736
• Main Authors: Zhong, Rong-Lin, Sun, Shi-Ling, Xu, Hong-Liang, Qiu, Yong-Qing, Su, Zhong-Min
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 01.05.2014; WILEY‐VCH Verlag; Blackwell Publishing Ltd
• Subjects: Boron; Carbon; carbon nanotubes; Chemistry; density functional calculations; electronic structure; heteronanotubes; Nanotubes; nonlinear optics; Optical properties
• ISSN: 2192-6506; 2192-6506
• DOI: 10.1002/cplu.201300381

Carbon–boron–nitride heteronanotubes have attracted much interest owing to their adjustable properties and wide applications in many fields. In this work, the structures and first hyperpolarizabilities (β0) of a series of HA‐n and isoelectronic PA‐n heteronanotubes are investigated, in which HA‐n is...