Deciphering water-solid reactions during hydrothermal corrosion of SiC

TL;DR

This study uncovers atomic-scale mechanisms of SiC hydrothermal corrosion, revealing how water interacts with SiC surfaces leading to dissolution, which aids in designing corrosion-resistant materials.

Contribution

It provides the first detailed atomic-level understanding of water-SiC interactions during hydrothermal corrosion, including reaction pathways and activation energies.

Findings

Hydrogen scission reactions are crucial for Si-C bond breaking.

No stable silica layer forms on SiC during corrosion.

SiC dissolves directly into water as silicic acid.

Abstract

Water solid interfacial reactions are critical to understanding corrosion. More specifically, it is notoriously difficult to determine how water and solid interact beyond the initial chemisorption to induce the surface dissolution. Here, we report atomic-scale mechanisms of the elementary steps during SiC hydrothermal corrosion, from the initial surface attack to surface dissolution. We find that hydrogen scission reactions play a vital role in breaking Si-C bonds, regardless of the surface orientations. Stable silica layer does not form on the surface, but the newly identified chemical reactions on SiC are analogous to those observed during the dissolution of silica. SiC is dissolved directly into the water as soluble silicic acid. The rate of hydrothermal corrosion determined based on the calculated reaction activation energies is consistent with available experimental data. Our work sheds new light on understanding and interpreting the experimental observations and it provides foundation for design of materials that are resistant to corrosion in water.