SiC水热腐蚀过程中水-固反应的解析
Deciphering water-solid reactions during hydrothermal corrosion of SiC
摘要：
水-固界面反应是理解腐蚀的关键。更具体地说，众所周知，很难确定水和固体如何在初始化学吸附之外相互作用以诱导表面溶解。在这里，我们报告的原子尺度机制的SiC水热腐蚀过程中的基本步骤，从最初的表面攻击表面溶解。我们发现，氢断裂反应在打破Si-C键起着至关重要的作用，无论表面取向。在表面上没有形成稳定的二氧化硅层，但新发现的SiC上的化学反应类似于在二氧化硅溶解期间观察到的化学反应。SiC作为可溶性碳酸直接溶于水中。根据计算的反应活化能确定的水热腐蚀速率与现有的实验数据是一致的。我们的工作为理解和解释实验观察结果提供了新的思路，并为设计抗水中腐蚀的材料提供了基础。
英文摘要：
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.
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