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**General Questions and Answers / Work function of functionalized graphene**

« **on:**June 7, 2019, 13:33 »

Hi,

Request the procedure for computing the work function of functionalized graphene nanoribbon..For silver we have but what are the parameters to be fixed if we are to compute workfunction of GNR.A detailed procedure could help us in this regard

Already we are calculating chemical potential during optimization process.Can we use that result as work function or not???

Request the procedure for computing the work function of functionalized graphene nanoribbon..For silver we have but what are the parameters to be fixed if we are to compute workfunction of GNR.A detailed procedure could help us in this regard

Already we are calculating chemical potential during optimization process.Can we use that result as work function or not???