First-principles modeling of polysilazane derived SiCNH ceramics: insights into the organization of the free carbon phase

Fabien Mortier; Sylvian Cadars; Marwan Ben Miled; Olivier Masson; Guido Ori; Mauro Boero; Yun Wang; Samuel Bernard; Assil Bouzid

doi:10.1039/d5cp04954g

January 1, 2026Physical Chemistry Chemical Physics

First-principles modeling of polysilazane derived SiCNH ceramics: insights into the organization of the free carbon phase

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Key Points

This research aims to explore the atomic-scale structure of SiCNH ceramics derived from polysilazane.
First-principles modeling is employed to analyze the atomic structure.
The composition studied is Si32C25N24H19, resembling silicon carbo-nitride ceramics.
The study reveals insights into the organization of the free carbon phase within the ceramic structure.
Atomic-scale details of the SiCNH composition are clarified through modeling techniques.

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Implication

First-principles modeling studies the atomic structure of SiCNH ceramics, highlighting carbon organization.

Abstract

The atomic-scale structure of a Si 32 C 25 N 24 H 19 composition made from a polysilazane and assimilated to a silicon carbo-nitride ceramic, is studied by resorting to...

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Mortier et al. (2026) studied this question.

synapsesocial.com/papers/6a056767a550a87e60a1f61d https://doi.org/10.1039/d5cp04954g

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First-principles modeling of polysilazane derived SiCNH ceramics: insights into the organization of the free carbon phase

Key Points

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Implication

Abstract

Discussion

Cite This Study

First-principles modeling of polysilazane derived SiCNH ceramics: insights into the organization of the free carbon phase

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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