Table 4. Comparison of GO with Other 2D Materials.

S. No.	2D material	Drug	Method	Studies	Refs
1	Phosphorene	Doxorubicin	DFT and simulation	The DOX molecule is adsorbed horizontally onto the PNS surface with the nearest contact distance being 2.5, according to both DFT calculations and MD simulations. About 49.5 kcal mol–1 is anticipated to be DOX’s binding energy.	(87)
2		Thioguanine	DFT studies, electrical conductivity	Phosphorene and thioguanine’s individual and combined geometries had predicted band gap values of 0.97 eV, 2.81 eV, and 0.91 eV, respectively.	(88)
3			Carrier mobility	It has a tunable carrier mobility of ∼300 cm2 m–1 S–1 at 120 K, and at room temperature it is ∼1000 cm2 m–1 S–1.	(89)
4			DFT, adsorption energy, and band gap and PDOS structure	The primary component, 5–8 PNS, has a structural stability confirmed by the formation energy of 3.687 eV per P atom.	(90)
5		MDA-MB-231	Cytotoxicity	The great effectiveness of PTT was demonstrated when mice tumors that had been BP-treated and then exposed to radiation shrank in size in just three days, and the animals continued to live for more than a month as a result of the treatment.	(91)
6	BNNTs	5-Fluorouracil	DFT studies	The studies revealed that the NiN-BNNT structure can be an electronic sensor due to its increased electrical conductivity.	(92)
7	BC6N	Hydroxyurea (HU), 5-fluorouracil (5-FU), carmustine (CMU), 6-mercaptopurine (6-MP), ifosfamide (IFO), and chloromethane (CM)	DFT studies, QTAIM	The energy band gap (Eg) of the g-BC6N nanosheet is substantially smaller following drug adsorption, according to DFT. The 6-MP/g-BC6N complex was found to have the most stable structure, with adsorption energies of 18.19 and 23.53 kcal mol–1 for configurations M1 and M2, respectively, in the gas phase.	(93)
8	Silicene	Anastrozole (ANA) and melphalan (MEL)	DFT studies, MD simulations	Drug absorption on the surface of SNS and FA-SNS is extremely reactive, as evidenced by adsorption energies in the range of −65.59 to −144.23 kJ/mol. Additionally, MD simulations show that van der Waals energy contributes more to drug–carrier interactions than electrostatic energy. Additionally, the outcomes show that drug molecules travel toward carriers in a natural manner.	(94)
9	MoS2	Dox, Ce6	PTT and chemotherapy	No toxicity observed even at high temperature.	(95)
10	WSe2	Hella	MTT assay	Low cytotoxicity observed even at high concentration (i.e.,160 μg/mL).	(96)
11	MoS2	-	Electrical conductivity	The 1.2–1.8 eV band gap is more preferable than graphene and ambipolar in nature.	(97)
12	MoS2	INH and PZA	DFT	The variation in adsorption energies, and pH revealed that the anti-Tb drug desorbs from the 2D layer at high temperature and acidic environment.	(98)
13	Germanene	-	Electrical conductivity	From the equation the value of germanene gives a band gap of 0.33 V with 5 nm width of nanoribbon. The negative band gap under magnetic field has been observed.	(99)
14	Silicene	-	DFT studies	Unlike graphene it is demonstrated that silicene sheets are stable only if a small buckling (0.44 Å) is present.	(100)
15	Graphitic carbon nitride quantum dots (g-CNQDs)	Fluorescence bioimaging	DOX	The PEGylated g-CNQDs show improved physiological stability and a 9.3% quantum yield in their fluorescence emission. In contrast to neutral pH, the DOX release from the PEGylated g-CNQDs was higher in acidic circumstances.	(101)