DFT study of small gas molecules adsorbed on undoped and N-, Si-, B-, and Al-doped graphene quantum dots

A theoretical study about the interaction between small gas molecules (H 2 O, CO, CO 2 , NH 3 , and CH 4 ) with graphene quantum dots (GQDs) was performed. To develop gas sensors with ultralow detection levels, the nature of the bonds between the gas molecules and the GQDs should be understood and c...

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