Pt, Pd and Au decorated reduced graphene oxide: Sensing properties for phenol gas detection at room temperature
Küçük Resim Yok
Tarih
2024
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Sa
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The adsorbent and sensor properties of metal decorated (Pt, Au and Pd) reduced graphene oxide (rGO) structures for phenol gas were investigated using Density Functional Theory (DFT) method with WB97XD formalism. The NBO charge values suggest the occurrence of charge transfer from the phenol molecule to the rGO structures. After the adsorption of phenol, the HOMO-LUMO gap values of the Pt-decorated rGO structure were observed to decrease, while the work function values of the Pt-decorated rGO structure were found to increase. The recovery time for phenol molecule on the Pt-rGO structure was determined to be 0.0019 seconds. These results imply that the Pt-decorated rGO structure can function as a work function sensor in addition to an electronic sensor for phenol gas molecule.
Açıklama
Anahtar Kelimeler
Reduced Graphene Oxide, RGO, DFT, Phenol, Adsorption, Sensor
Kaynak
Synthetic Metals
WoS Q Değeri
Q2
Scopus Q Değeri
Q1
Cilt
306
