Predicted Confinement-Enhanced Stability and Extraordinary Mechanical Properties for Carbon Nanotube Wrapped Chains of Linear Carbon

ACS Nano
Enlai GaoRay H Baughman

Abstract

The demand for high-modulus, high-strength, lightweight materials has continuously driven the bottom-up assembly of carbon nanostructures into high-performance bulk carbon materials, such as graphene sheets and carbon nanotube yarns. Carbyne, often called linear carbon, has a higher predicted gravimetric modulus and gravimetric strength than any other form of carbon, but possibly reacts under near-ambient conditions because of the extended sp1 hybridization. The successful fabrication of carbon nanotube wrapped single carbyne chain (Shi et al. Nat. Mater. 2016, 15, 634) suggests the possibility of carbyne's bulk production. Herein, we designed a type of carbon assembly that includes a possibly large array of carbyne chains confined within a single-walled nanotube sheath (nanotube wrapped carbynes, NTWCs), in which carbyne chains act as reinforcing building blocks, and the carbon nanotube sheath protects the multiple carbyne chains against chemical or topochemical reaction. We showed that NTWCs exhibit confinement-enhanced stabilities, even when they contain multiple neighboring carbyne chains. We developed a mechanics model for exploring the mechanical properties of NTWCs. On the basis of this model, the gravimetric modulus (an...Continue Reading

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Citations

Oct 12, 2021·Journal of Molecular Modeling·Rafael Alencar RochaAcrisio Lins Aguiar

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