Mapping nitrogen heteroatoms in carbon fibres using atom probe tomography and photoelectron spectroscopy

Carbon fibres show great potential as multifunctional negative electrode for novel structural battery composites - a rechargeable electrochemical cell with structural function. The electrochemical performance of carbon materials can be enhanced with nitrogen heteroatoms, which conveniently are inherent in polyacrylonitrile (PAN)-based carbon fibres. However, it is not fully understood how the electrochemical performance is governed by microstructure and composition of the carbon fibres, particularly the distribution and chemical states of nitrogen heteroatoms. Here we reveal the atom-by-atom three-dimensional spatial distribution and the chemical states of nitrogen in three PAN-carbon fibre types (M60J, T800 and IMS65), using atom probe tomography (APT) and synchrotron hard X-ray photoelectron spectroscopy (HAXPES), and correlate the results to electrochemical performance. The findings pave the way for future tailoring of carbon fibre microstructure for multifunctional applications. (C) 2021 The Author(s). Published by Elsevier Ltd.

Automated summary

The study revealed the three-dimensional spatial distribution and chemical states of nitrogen in three types of PAN carbon fibers, and correlated the results with electrochemical performance, providing a pathway for future tailoring of carbon fiber microstructure for multifunctional applications.