Understanding the hydrolysis mechanism of cyanogen chloride on copper and chromium surfaces
Ze Yang,
Xin Li,
Lingxuan Zhang
et al.
Abstract:Cyanogen chloride (CNCl) is a highly toxic agent, but there is currently a lack of research on the catalytic hydrolysis reaction of CNCl on metal surfaces. The low efficiency and unclear mechanism of CNCl hydrolysis reaction have hampered the development and enhancement of protective equipment. In this work, we focused on investigating the adsorption behavior and hydrolysis mechanism of CNCl on copper and chromium surfaces through first‐principle methods. Our findings revealed the most stable adsorption config… Show more
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