Fe/Ti-layered double
hydroxide (LDH) has been hydrothermally prepared
and characterized using X-ray diffraction, scanning electron microscopy,
atomic force microscopy, Fourier transform infrared spectroscopy,
and UV–visible diffuse reflectance spectroscopy for evaluation
of its structure, morphology, and optical properties. The purpose
of doping Ti
4+
with Fe
3+
toward the synthesis
of Fe/Ti LDH is to extend the absorption of the nanomaterial to longer
wavelength, which is known to exhibit higher electron transport performance.
To provide a practical realization, electron transport modeling across
the band gap has been interpreted using exponential, Gaussian, and
mixed Gauss–exponential distribution. The conduction band energy
(
E
C
) has been calculated by using the
observed values of band gap (
E
g
) and ξ-potential
of the LDH. A detailed study has been undertaken to investigate the
pattern of theoretical density of the LDH on the basis of unknown
(
E
C
= 0) and known (calculated) values
of
E
C
. Fermi–Dirac statistics has
been used extensively for estimating the occupancy probability of
electron (e
–
)–hole (h
+
) pair formation
within the valence and conduction bands, respectively, with different
temperatures, as well as for given energy levels. Monte Carlo simulations
have also been performed to evaluate the suitability of the choice
of the model, on the basis of the probability of availability of e
–
s within the conduction band. To provide a practical
realization of the suggested models, electronic transition across
the band gap of Fe/Ti LDH has been extensively investigated.