DISORDER Group

New paper: Disentangling Intra- and Interlayer Disorder in Disordered Carbons via Pair-Angle Distribution Function Analysis

Krestine Hofstedt Rasmussen avatar
Krestine Hofstedt Rasmussen
Pair-angle distribution function (PADF) analysis is applied to highly sp²-hybridized disordered carbons to probe their complex extended-range order, characterized by curved layers, variable ring sizes, and stacking disorder. The three-dimensional nature of PADF enables separation of intra- and interlayer disorder—challenging with conventional one-dimensional methods—providing deeper insight into structural organization. This approach advances understanding of disordered carbons and offers a powerful framework for studying other layered materials such as MXenes and layered double hydroxides.

Disordered carbons are important in various applications vital for the green transition. However, investigating their atomic structure can be challenging due to high degrees of disorder.

In this recent study the potential of pair-angle distribution function (PADF) analysis for studying disorder within and in-between layers of highly sp2-hybridized disordered carbons was discovered. Using the discovered approach to analyze, the PADF reveals possible contributions of stacking disorder or ring defects to the atomic structure.

This work shows the potential of PADF to guide theoretical research on structural models of disordered carbons, as it imposes constraints than other experimentally accessible measures of disordered structures.
https://doi.org/10.1021/acsmaterialslett.5c01636

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