Magnetic properties of graphene oxide functionalized with “Au” and “Fe2O3” nanoparticles: A comparative study

Graphene oxide:Fe2O3 nanocomposites for photodetector applications: experimental and ab initio density functional theory study

“…A denser k -point grid of 10 × 10 × 2 was used to calculate the electron density difference and density of state calculations to correctly account for electron transport and electronic properties of rGO and Fe–O doped rGO. The adatomic siting of the Fe–O atoms on the GO matrix was based on our previous report, 23 where enhanced magnetization was observed for the Fe atom sitting at an adatom site, as opposed to the interstitial or substitutional site. 23 Different doping configurations, each with a varying number of Fe–O pairs, were considered ( Fig.…”

“…The adatomic siting of the Fe–O atoms on the GO matrix was based on our previous report, 23 where enhanced magnetization was observed for the Fe atom sitting at an adatom site, as opposed to the interstitial or substitutional site. 23 Different doping configurations, each with a varying number of Fe–O pairs, were considered ( Fig. 7 ) to account for the effect of dopant concentration on the electronic properties of GO.…”

A review on the use of DFT for the prediction of the properties of nanomaterials

“…Idisi et al have performed DFT calculations to explain the relationship between the DOS and the magnetic properties of the nanocomposites (r-GO:Au NPs & r-GO:Fe 2 O 3 NPs), and compared the calculated results with the experimentally obtained data. 193 PDOS of r-GO, r-GO:Au, and r-GO:Fe–O are shown in Fig. 29 which depicts the contributions of the different core states to the total DOS.…”

Au/α-Fe2O3/Ti3C2Tx MXene Nanosheet Heterojunctions for High-Performance NH3 Gas Detection at Room Temperature

“…In particular, Au NPs have been extensively applied in gas sensors since Au nanoparticles possess high catalytic activity and can stimulate the electron conversion of both the sensing material and detected gas molecules. 20 Until now, several investigations on the enhancement of gas sensors utilizing Au modification have been reported. For example, Zou et al designed that the γ-Fe 2 O 3 @rGO-Au ternary heterostructures showed significantly improved NO 2 gassensing performance than the bare γ-Fe 2 O 3 @rGO sensor.…”

“…is another effective way to decrease the energy required for gas–sensitivity reactions. In particular, Au NPs have been extensively applied in gas sensors since Au nanoparticles possess high catalytic activity and can stimulate the electron conversion of both the sensing material and detected gas molecules . Until now, several investigations on the enhancement of gas sensors utilizing Au modification have been reported.…”