title: Low thermal conductivity in ultrathin carbon nanotube (2, 1).
abstract: Molecular dynamic simulations reveal that the ultrathin carbon nanotube (CNT) (2, 1) with a reconstructed structure exhibits a surprisingly low thermal conductivity, which is only ~16-30% of those in regular CNTs, e.g. CNT (2, 2) and (5, 5). Detailed lattice dynamic calculations suggest that the acoustic phonon modes greatly soften in CNT (2, 1) as compared to regular CNTs. Moreover, both phonon group velocities and phonon lifetimes strikingly decrease in CNT (2, 1), which result in the remarkable reduction of thermal conductivity. Besides, isotope doping and chemical functionalization enable the further reduction of thermal conductivity in CNT (2, 1).
authors.affiliation: Department of Physics, Centre for Computational Science and Engineering, and Graphene Research Center, National University of Singapore, Singapore 117542, Republic of Singapore.
authors.forename: Liyan
authors.initials: L
authors.lastname: Zhu
authors.affiliation: 1] Department of Physics, Centre for Computational Science and Engineering, and Graphene Research Center, National University of Singapore, Singapore 117542, Republic of Singapore [2] NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, Singapore 117456, Republic of Singapore [3] Center for Phononics and Thermal Energy Science, School of Physics Science and Engineering, Tongji University, Shanghai 200092, People's Republic of China.
authors.forename: Baowen
authors.initials: B
authors.lastname: Li