In
this study, composite two-dimensional (2D) materials consisting
of graphene (Gr) and tungsten disulfide (WS2) were coalesced
with gold nanoparticles (AuNPs) through a self-assembly process to
boost the conductivity of the resulting graphene–tungsten disulfide–gold
nanoparticles (Gr–WS2–AuNPs) nanointerface
structure. Structural and morphological characterization of the nanohybrid
structure reveals crystalline thin flakelike agglomerates. Electrochemical
characterization reveals an excellent electron transfer process for
all the modified electrodes at the interface. The Gr/WS2/AuNPs/HRP/GCE modified bioelectrode exhibited a rapid electrobiocatalytic
response in detecting H2O2 and a linear response
from 0.40 to 23 mM, while 11.07 μA/mM/cm2 is the
sensitivity value. This shows that the fabricated Gr/WS2/AuNPs/HRP interface structure is an excellent material for future
developments in electrochemical biosensing and bioelectronics applications.
The interactions, geometry, and energetic and electronic properties
of H2O2 adsorption onto Gr/WS2/Au
using the density functional theory (DFT) method have also been investigated
along with the Grimme’s DFT-D3 dispersion method. Different
adsorption modes of the H2O2 molecule onto the
Gr/WS2/Au surface were considered. In almost all the cases,
the adsorption was found to be energetically favorable and chemisorbed,
with energies ranging from −2.198 to −3.782 eV. It was
found that the W 5d, S 3p, and Au 6s orbitals play a vital role in
the adsorption process. The H2O2 adsorption
on Gr/WS2/Au remarkably decreases its work function, thereby
increasing the field electron emission from the H2O2 molecule to Gr/WS2/Au.