Table 1.

Adsorption energy of the stable structure (eV).

Models	${\mathit{E}}_{GS}+{\mathit{E}}_{DOX}$	${\mathit{E}}_{GS+DOX}$	${\mathit{E}}_{GS}$	${\mathit{E}}_{ads}$
G-DOX *	−57,483.232	−57,480.219	−47,764.498	−3.013
GO-OH-DOX	−62,918.418	−62,915.918	−53,199.578	−2.501
GO-O-DOX	−62,918.477	−62,915.652	−53,199.578	−2.825
GO-OH-O-DOX	−62,916.538	−62,913.910	−53,198.480	−2.628

* G, graphene.