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Abstract In this study, montmorillonite (MMT) nanosheets are purified and exfoliated from a crude clay source and further twice‐functionalized with cetritrimethylammonium bromide and [3‐(2‐aminoethylamino)propyl]trimethoxysliane (AEAPTMS) to promote dispersion in the preceramic polymer. Phase profiles and compositions of MMT nanoflakes and MMT‐silicon oxycarbide (SiOC) are characterized with X‐ray diffraction, infrared spectroscopy, and thermogravimetric analysis. The microstructures are examined by scanning and transmission electron microscopy. MMT nanoflakes are randomly dispersed in the SiOC matrix with α‐quartz forming at the MMT‐SiOC interface. Pyrolysis to 1400 °C induced the formation of SiC nanowhiskers that are observed up to 20 µm in length and 200 nm in diameter. After selective etching of SiO₂domains with HF, pore sizes and specific surface areas of MMT‐SiOC are analyzed with nitrogen adsorption. The study provided a new fundamental understanding of MMT‐SiOC interactions at different pyrolysis temperatures and also led to composites with specific surface areas reaching 120 m² g⁻¹ up to 1200 °C pyrolysis, and between 340 and 772 m² g⁻¹at 1400 °C pyrolysis and pore size distributions between 2 and 5 nm. The methodology and results presented improve the understanding and viability of 2D nanomaterial‐reinforced ceramic composites and MMT as a precursor for nanostructured SiC. 

A significant challenge during the polymer-to-ceramic pyrolysis conversion is to understand the polymer-to-ceramic atomic evolution and correlate the composition changes with the precursor molecular structures, pyrolysis conditions, and resulting ceramic characteristics. In this study, a Reactive Force Field (ReaxFF) simulation approach has been used to simulate silicon oxycarbide (SiOC) ceramic formation from four different polysiloxane precursors. For the first time, we show atomically that pyrolysis time and temperature proportionally impact the new Si-O rich and C rich cluster sizes as well as the composition separation of Si-O from C. Polymer side groups have a more complex effect on the Si-O and C cluster separation and growth, with ethyl group leading to the most Si-O cluster separation and phenyl group leading to the most C cluster separation. We also demonstrate never-before correlations of gas release with polymer molecular structures and functional groups. CH4, C2H6, C2H4, and H2 are preferentially released from the pyrolyzing systems. The sequence is determined by the polymer molecular structures. This work is the first to atomically illustrate the innate correlations between the polymer precursors and pyrolyzed ceramics.