The kinked structure and interchain van der Waals interaction of carbyne nanocrystals.

ABSTRACT: Carbyne with one-dimensional sp-hybridized carbon atoms is the third form of carbon following diamond and graphite. Although carbyne nanocrystals have been synthesized, little is known about its structural details. Here, we report experimental evidence of the kinked structure of carbon chains and interchain van der Waals interaction of carbyne nanocrystals by near edge X-ray absorption fine structure (NEXAFS) spectroscopy. We measure the resonance and the feature peaks of the kinked configuration of carbon chains and the van der Waals interaction between chains of carbyne nanocrystals using NEXAFS spectroscopy. We also perform theoretical calculations of density functional theory and simulations based on the super-cell core-hole method for carbon K-edge NEXAFS. The theoretical results are

SUBMITTER: Cao W 

PROVIDER: S-EPMC9811524 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature