Applied Chemical Engineering,
Journal Year:
2023,
Volume and Issue:
7(1)
Published: Dec. 14, 2023
Al-Mg
surface
doped
silicon,
germanium
and
tin
is
theoretically
studied
using
first-principles
density
functional
theory
(DFT)
at
the
CAM-B3LYP/EPR-III,
LANL2DZ,6-31+G(d,p)
level
of
to
explore
chemical
adsorption
corrosion
inhibition
organic
carbenes
through
coating
process.
The
fluctuation
NQR
estimated
inhibiting
role
pyridine
its
derivatives
(picoline,
3-picoline,4-picoline,2,4-lutidine)
for
(Si,
Ge,
Sn)-doped
alloy
nanosheet
due
concerning
nitrogen
in
benzene
ring
related
heterocyclic
compounds
becoming
close
monolayer
nanosurface
Al-Mg-X
(X
=
Si,
Sn)
nanoalloys.
NMR
spectroscopy
remarks
that
has
maximum
band
wavelengths
approximately
between
10
ppm–2000
ppm
accompanying
sharpest
peaks
inhibitors
→
which
are
ppm–100
ppm.
IR
exhibited
with
frequency
intra-atomic
interaction
leads
us
most
influence
vicinage
atoms
generated
inter-atomic
interaction.
spectrum
complexes
[inhibitor
Sn)]
observed
range
500
cm−1–3500
cm−1.
This
work
exhibits
proper
monitoring
mechanism
by
Langmuir
can
illustrate
aluminum
nanoalloys
an
investigation
their
structural
thermodynamic
properties.
investigates
characteristics,
structure,
projected
state
(PDOS)
nanoalloy
Sn
elements
increasing
molecules
coatings
article
be
helpful
a
applications
uses
study
energy
storage
air
pollution
or
water
contamination.
Many
different
approaches
such
as
coatings,
alloying
doping
adopted
protect
surface.
