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A simple model for evaluating the thermal atomic transfer rates innanosystems [EPL 94, 40002 (2011)] was developed to predict the chemicalreaction rates of nanosystems with small gas molecules. The accuracy of themodel was verified by MD simulations for molecular adsorption and desorption ona monatomic chain. By the prediction, a monatomic carbon chain should survivefor 120 years in the ambient of 1 atm O2 at room temperature, and it is veryinvulnerable to N2, H2O, NO2, CO and CO2, while a monatomic gold chain quicklyruptures in vacuum. It is worth noting that since the model can be easilyapplied via common ab initio calculations, it could be widely used in theprediction of chemical stability of nanosystems.

Predicting the chemical stability of monatomic chains