Graphene,
a
nanomaterial,
is
recognized
as
two-dimensional
(2D)
carbon
form,
one
of
the
universe's
most
prevalent
elements.
Despite
its
short
history
since
discovery,
it
exhibits
extraordinary
thermal,
electrical,
optical,
and
mechanical
properties
thanks
to
high
surface
area,
electron
mobility,
biocompatible
structure,
adsorption
capacity.
These
characteristics
enable
graphene
graphene-based
nanomaterials
be
remarkable
in
variety
applications.
According
application
desired
should
considered
choice
synthesis
method.
Graphene
methods
are
basically
divided
into
top-down
method,
which
based
on
principle
exfoliation
layers,
bottom-up
layer
growth.
While
provide
range
dimensional,
physical,
chemical,
morphological
properties,
these
attributes
assessed
using
diverse
characterization
techniques,
including
X-ray
photoelectron
spectroscopy,
Raman
diffraction,
transmission
microscopy,
Brunauer–Emmett–Teller
analysis,
thermogravimetric
analysis.
Graphene-based
exhibit
significant
potential
catalyst
application,
aiding
air
water
purification
well
splitting
for
H2
production
due
their
Moreover,
they
can
also
used
energy
storage
because
mobility
conductivity
various
biomedical
areas
structure.
Looking
ahead,
hold
promise,
offering
numerous
technological
opportunities
future.
This
section
initially
highlights
structure
brief
graphene,
followed
by
examinations
processes,
procedures,
fields
nanomaterials.
RSC Advances,
Journal Year:
2023,
Volume and Issue:
13(26), P. 17465 - 17475
Published: Jan. 1, 2023
The
efficiency
of
pristine
graphene
(GN)
in
the
delivery
process
Favipiravir
(FPV)
anti-COVID-19
drug
was
herein
revealed
within
FPV⋯GN
complexes
perpendicular
and
parallel
configurations
terms
density
functional
theory
(DFT)
method.
Adsorption
energy
findings
unveiled
that
configuration
showed
higher
desirability
than
one,
giving
adsorption
up
to
-15.95
kcal
mol-1.
This
favorability
could
be
interpreted
as
a
consequence
contribution
π-π
stacking
overall
strength
configuration.
Frontier
molecular
orbitals
(FMO)
demonstrated
ability
GN
nanosheet
adsorb
FPV
by
alteration
EHOMO,
ELUMO,
Egap
values
before
after
process.
Based
on
Bader
charge
results,
sheet
exhibited
electron-donating
-accepting
characters,
respectively,
which
confirmed
negative
sign
computed
transfer
(Qt)
values.
FPV(R)⋯T@GN
complex
most
desirable
Qt
value
-0.0377e,
synoptic
with
pattern.
Electronic
properties
were
also
altered
both
configurations,
more
observable
changes
one.
Interestingly,
Dirac
point
coincided
Fermi
level
process,
indicating
unaffected
presence
point.
occurrence
noticed
existence
new
bands
peaks
band
structure
DOS
plots,
respectively.
Short
recovery
time
rendered
an
efficient
system.
obtained
provide
insight
into
biomedical
applications
promising
Chemical Physics Impact,
Journal Year:
2023,
Volume and Issue:
7, P. 100347 - 100347
Published: Oct. 17, 2023
Assessing
an
idea
of
metal-doped
fullerenes
(MF)
as
promising
drug
carriers
hydroxycarbamide
(Hyd)
anticancer
was
done
in
this
work
by
performing
density
functional
theory
(DFT)
calculations.
A
model
carbon
fullerene
doped
each
iron
(Fe),
nickel
(Ni),
and
zinc
(Zn)
transition
metal
atoms
to
provide
enhanced
FeF,
NiF,
ZnF
for
working
towards
the
Hyd
regarding
delivery
issues.
The
were
optimized
their
evaluated
features
indicated
a
possibility
occurrence
MF
→
Hyd@MF
mechanism
through
involving
O…M
H…C
interactions
from
side
side.
longest
recovery
time
duration
supposed
be
found
Hyd@ZnF
complex
because
largest
strength
highest
conductance
rate
variation
Hyd@NiF
smallest
energy
gap.
However,
all
models
reasonable
level
formations
electronic
variations
monitored
approaching
sensing
or
detecting
function.
In
regard,
suitable
issues
formation
interacting
Hyd@FeF,
Hyd@NiF,
complexes
meaningful
levels
structural
features.
Chemical Physics Impact,
Journal Year:
2023,
Volume and Issue:
7, P. 100306 - 100306
Published: Sept. 11, 2023
An
enhanced
boron
nitrogen
decorated
carbon
fullerene
with
the
formula
BNC18
(BNC)
was
investigated
for
sensing
formaldehyde
(FMA)
pollutant.
Density
functional
theory
(DFT)
calculations
were
performed
to
optimize
pure
C
and
BNC
one
prepare
a
comparative
study
of
facile
detection
FMA
substance
through
formation
FMA@C
FMA@BNC
complexes.
The
details
complexes
re-recognized
by
additional
quantum
atoms
in
molecule
(QTAIM)
analyses,
which
formations
both
confirmed.
However,
BN-decoration
enhancement
provided
better
interacting
surface
towards
comparison
fullerene.
Moreover,
electronic
molecular
orbitals
features
indicated
significant
function
model
improving
semiconductivity
recognizing
adsorbed
substance.
In
this
regard,
found
suitable
successfully
approaching
two
terms
"recovery
time"
"conductance
rate"
