Description
demonstrating fundamental physics and promising applications in nano/microscale devices. However, there is a high anisotropy associated with these Boron Nitride (BN) allotropes as their excellent properties are either along the tube axis or in-plane directions, posing an obstacle in their widespread use in technological and industrial applications. Herein, we report a series of 3D BN prototypes, namely Pillared Boron Nitride (PBN), by in-silico fusing of single wall BNNT and monolayer h-BN aimed at filling this gap. We use density functional theory and molecular dynamics simulations to probe the diverse mechano- and thermo-mutable properties of PBN prototypes as well as their gas adsorption properties. Our results demonstrate that the synergistic effect of the tubes, junctions, and sheets imparts cooperative deformation mechanisms and phonon transport processes, which overcome the intrinsic limitations of the PBN constituents, thus providing a number of superior characteristics including 3D balance of strength, toughness and thermal transport, emergence of negative Poisson’s ratio, and elimination of strain softening along the armchair orientation. These features, combined with the ultrahigh surface area and lightweight structure, render PBN as a 3D multifunctional template for applications in graphene-based nanoelectronics, optoelectronics, gas storage, and functional composites with fascinating in-plane and out-of-plane tailorable properties. Specifically, the ultrahigh surface area (>2200 m2/g) could be a promising venue for energy storage and delivery.
Recommended Citation
Shahsavari, R., & Sakhavand, N. (2014). Mechano- and thermo-mutable anisotropy of 3D porous multifunctional boron nitride nanostructures. In A. Bajaj, P. Zavattieri, M. Koslowski, & T. Siegmund (Eds.). Proceedings of the Society of Engineering Science 51st Annual Technical Meeting, October 1-3, 2014 , West Lafayette: Purdue University Libraries Scholarly Publishing Services, 2014. https://docs.lib.purdue.edu/ses2014/mss/mmms/29
Mechano- and thermo-mutable anisotropy of 3D porous multifunctional boron nitride nanostructures
demonstrating fundamental physics and promising applications in nano/microscale devices. However, there is a high anisotropy associated with these Boron Nitride (BN) allotropes as their excellent properties are either along the tube axis or in-plane directions, posing an obstacle in their widespread use in technological and industrial applications. Herein, we report a series of 3D BN prototypes, namely Pillared Boron Nitride (PBN), by in-silico fusing of single wall BNNT and monolayer h-BN aimed at filling this gap. We use density functional theory and molecular dynamics simulations to probe the diverse mechano- and thermo-mutable properties of PBN prototypes as well as their gas adsorption properties. Our results demonstrate that the synergistic effect of the tubes, junctions, and sheets imparts cooperative deformation mechanisms and phonon transport processes, which overcome the intrinsic limitations of the PBN constituents, thus providing a number of superior characteristics including 3D balance of strength, toughness and thermal transport, emergence of negative Poisson’s ratio, and elimination of strain softening along the armchair orientation. These features, combined with the ultrahigh surface area and lightweight structure, render PBN as a 3D multifunctional template for applications in graphene-based nanoelectronics, optoelectronics, gas storage, and functional composites with fascinating in-plane and out-of-plane tailorable properties. Specifically, the ultrahigh surface area (>2200 m2/g) could be a promising venue for energy storage and delivery.