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These findings revealed the potential bio-effect of the C3N nanomaterial and its molecular mechanism, which might benefit the future applications of C3N-based nanostructures.Several mechanisms for the electropolymerization of pyrrole have been proposed since the first report 40 years ago. However, none of them were consensual despite a range of assumptions. We simulated and explained the preliminary steps governing the electropolymerization of pyrrole in a charged model interface using first-principles molecular dynamics calculations t

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