Physical Review Letters,
Journal Year:
2025,
Volume and Issue:
134(4)
Published: Jan. 28, 2025
Constant-potential
molecular
dynamics
(MD)
simulations
are
indispensable
for
understanding
the
structure,
capacitance,
and
of
electrical
double
layers
(EDLs)
at
atomistic
level.
However,
classical
constant-potential
method,
relying
on
so-called
``fluctuating
charges''
to
keep
electrode
equipotential,
overlooks
quantum
effects
always
underestimates
EDL
capacitance
typical
metal
aqueous
electrolyte
interfaces.
Here,
we
propose
a
constant
potential
method
accounting
electron
spillover
outermost
nuclei
electrode.
For
EDLs
Au(111)
electrodes,
our
MD
simulation
reveals
bell-shaped
curves
in
magnitude
shape
both
quantitatively
consistent
with
experiments.
It
unveils
electrode-polarization-dependent
local
electric
fields,
agreeing
experimental
observations
redshift
vibration
interfacial
water
under
negative
polarization
predicting
blueshift
positive
polarization,
further
identifies
geometry
dependence
two
timescales
during
charging.
Chemical Reviews,
Journal Year:
2022,
Volume and Issue:
122(12), P. 10821 - 10859
Published: May 20, 2022
Significant
progress
has
been
made
in
recent
years
theoretical
modeling
of
the
electric
double
layer
(EDL),
a
key
concept
electrochemistry
important
for
energy
storage,
electrocatalysis,
and
multitudes
other
technological
applications.
However,
major
challenges
remain
understanding
microscopic
details
electrochemical
interface
charging
mechanisms
under
realistic
conditions.
This
review
delves
into
methods
to
describe
equilibrium
dynamic
responses
EDL
structure
capacitance
systems
commonly
deployed
capacitive
storage.
Special
emphasis
is
given
advances
that
intend
capture
nonclassical
behavior
such
as
oscillatory
ion
distributions,
polarization
nonmetallic
electrodes,
charge
transfer,
various
forms
phase
transitions
micropores
electrodes
interfacing
with
an
organic
electrolyte
or
ionic
liquid.
comprehensive
analysis
highlights
insights
predictable
relationships
between
materials
characteristics
performance
offers
perspective
on
opportunities
further
development
toward
rational
design
optimization
systems.
Advanced Functional Materials,
Journal Year:
2023,
Volume and Issue:
33(18)
Published: Feb. 26, 2023
Abstract
Capacitive
deionization
(CDI)
is
an
emerging
water
desalination
technology
for
removing
different
ionic
species
from
water,
which
based
on
electric
charge
compensation
by
these
charged
species.
CDI
becoming
popular
because
it
more
energy‐efficient
and
cost‐effective
than
other
technologies,
such
as
reverse
osmosis
distillation,
specifically
in
dealing
with
brackish
having
low
or
moderate
salt
concentrations.
Over
the
past
decade,
research
field
has
witnessed
significant
advances
used
electrode
materials,
cell
architectures,
associated
mechanisms
applications.
This
review
article
first
discusses
ion
storage/removal
carbon
Faradaic
materials
aided
advanced
situ
analysis
techniques
computations.
It
then
summarizes
progress
toward
terms
of
structure,
surface
chemistry,
composition.
More
still,
architectures
highlighting
their
design
concepts.
Finally,
current
challenges
future
directions
are
summarized
to
provide
guidelines
research.
Carbon Research,
Journal Year:
2023,
Volume and Issue:
2(1)
Published: Jan. 16, 2023
Abstract
Carbon
neutrality
by
the
mid-twenty-first
century
is
a
grand
challenge
requiring
technological
innovations.
Biochar,
traditional
soil
amendment
which
has
been
used
for
fertility
improvement
and
contaminant
remediation,
revealed
new
vitality
in
this
context.
In
review
we
highlight
huge
potential
of
biochar
application
different
fields
to
mitigate
as
high
2.56
×
10
9
t
CO
2
e
total
greenhouse
gas
(GHG)
emissions
per
year,
accounting
5.0%
global
GHG
emissions.
Soil
applications
either
controlled-release
fertilizer
or
an
immobilization
agent
offer
improved
health
while
simultaneously
suppressing
CH
4
N
O.
Non-soil
also
contribute
carbon
unique
ways.
Firstly,
ruminant
feed
decreases
via
physical
sorption
enhanced
activities
methanotrophs.
Secondly,
can
be
green
catalyst
biorefinery.
Besides,
additive
Portland
cement
low
impact
development
(LID)
infrastructure
lowers
footprint
builds
resilience
climate
change.
Furthermore,
novel
batteries
supercapacitors
energy
storage
purposes.
Finally,
adsorption
capacity
makes
it
possible
being
sorbent
capture,
utilization,
(CCUS).
We
advocate
that
future
research
should
further
explore
effectiveness
systems
change
mitigation
large
scale
applications,
assess
economic
social
viability
local
combat
Graphical
ACS Nano,
Journal Year:
2024,
Volume and Issue:
18(4), P. 2611 - 2648
Published: Jan. 15, 2024
"Fast-charging"
lithium-ion
batteries
have
gained
a
multitude
of
attention
in
recent
years
since
they
could
be
applied
to
energy
storage
areas
like
electric
vehicles,
grids,
and
subsea
operations.
Unfortunately,
the
excellent
density
fail
sustain
optimally
while
are
exposed
fast-charging
conditions.
In
actuality,
crystal
structure
electrode
materials
represents
critical
factor
for
influencing
performance.
Accordingly,
employing
anode
with
low
diffusion
barrier
improve
"fast-charging"
performance
battery.
this
Review,
first,
principle
battery
ion
path
briefly
outlined.
Next,
application
prospects
various
structures
evaluated
search
stable,
safe,
long
lifespan,
solving
remaining
challenges
associated
high
power
safety.
Finally,
summarizing
research
advances
typical
materials,
including
preparation
methods
advanced
morphologies
latest
techniques
ameliorating
Furthermore,
an
outlook
is
given
on
ongoing
breakthroughs
batteries.
Intercalated
(niobium-based,
carbon-based,
titanium-based,
vanadium-based)
favorable
cycling
stability
predominantly
limited
by
undesired
electronic
conductivity
theoretical
specific
capacity.
addressing
electrical
these
constitutes
effective
trend
realizing
fast-charging.
The
conversion-type
transition
metal
oxide
phosphorus-based
capacity
typically
undergoes
significant
volume
variation
during
charging
discharging.
Consequently,
alleviating
expansion
significantly
fulfill
Advanced Functional Materials,
Journal Year:
2023,
Volume and Issue:
34(43)
Published: Sept. 17, 2023
Abstract
Supercapacitors
offer
superior
energy
storage
capabilities
than
traditional
capacitors,
making
them
useful
for
applications
such
as
electric
vehicles
and
rapid
large‐scale
storage.
The
performance
of
these
devices
relies
on
electrical
double‐layer
capacitance
and/or
pseudocapacitance
from
reversible
redox
reactions.
Metal–organic
frameworks
(MOFs)
have
recently
emerged
a
new
class
electrode
materials
with
promising
supercapacitor
performances
capacitances
that
exceed
those
materials.
However,
the
comparison
porous
carbon
state‐of‐the‐art
MOF
highlights
number
challenges
supercapacitors,
including
low
potential
windows,
limited
cycle
lifetimes,
poor
rate
performances.
It
is
proposed
well‐defined
tuneable
chemical
structures
MOFs
present
avenues
improving
performance.
Recent
experimental
theoretical
work
charging
mechanisms
in
MOF‐based
supercapacitors
also
discussed,
it
found
there
need
more
studies
elucidate
charge
degradation
mechanisms.
Ultimately,
deeper
understanding
will
lead
to
design
principles
realizing
improved
devices.
Chemical Reviews,
Journal Year:
2023,
Volume and Issue:
123(10), P. 6668 - 6715
Published: May 10, 2023
Room-temperature
ionic
liquids
(RTILs)
have
exciting
properties
such
as
nonvolatility,
large
electrochemical
windows,
and
remarkable
variety,
drawing
much
interest
in
energy
storage,
gating,
electrocatalysis,
tunable
lubrication,
other
applications.
Confined
RTILs
appear
various
situations,
for
instance,
pores
of
nanostructured
electrodes
supercapacitors
batteries,
increase
the
contact
area
with
enhance
total
capacitance
stored
energy,
between
crossed
cylinders
surface
force
balance
experiments,
a
tip
sample
atomic
microscopy,
sliding
surfaces
tribology
where
act
lubricants.
The
functioning
confinement,
especially
nanoconfinement,
result
fascinating
structural
dynamic
phenomena,
including
layering,
overscreening
crowding,
nanoscale
capillary
freezing,
quantized
electrotunable
friction,
superionic
state.
This
review
offers
comprehensive
analysis
fundamental
physical
phenomena
controlling
systems
current
state-of-the-art
theoretical
simulation
approaches
developed
their
description.
We
discuss
these
sequentially
by
increasing
atomistic
complexity,
paying
particular
attention
to
new
emerging
confinement.
covers
models,
most
which
are
based
on
mapping
problems
pertinent
statistical
mechanics
models
exact
analytical
solutions,
allowing
systematic
insights
develop
more
easily.
also
describe
classical
density
functional
theory,
reliable
computationally
inexpensive
tool
account
some
microscopic
details
correlations
that
simplified
often
fail
consider.
Molecular
simulations
play
vital
role
studying
confined
liquids,
enabling
deep
otherwise
unavailable
researchers.
basics
challenges
applicability
specific
problems,
focusing
RTIL
structure
cylindrical
slit
confinement
how
it
relates
friction
capacitive
ions.
Chemical Reviews,
Journal Year:
2023,
Volume and Issue:
123(15), P. 9327 - 9355
Published: June 9, 2023
In
response
to
the
current
trend
of
miniaturization
electronic
devices
and
sensors,
complementary
coupling
high-efficiency
energy
conversion
low-loss
storage
technologies
has
given
rise
development
photocapacitors
(PCs),
which
combine
in
a
single
device.
Photovoltaic
systems
integrated
with
supercapacitors
offer
unique
light
capabilities,
resulting
improved
overall
efficiency
over
past
decade.
Consequently,
researchers
have
explored
wide
range
device
combinations,
materials,
characterization
techniques.
This
review
provides
comprehensive
overview
photocapacitors,
including
their
configurations,
operating
mechanisms,
manufacturing
techniques,
focus
on
emerging
applications
small
wireless
devices,
Internet
Things
(IoT),
Everything
(IoE).
Furthermore,
we
highlight
importance
cutting-edge
materials
such
as
metal–organic
frameworks
(MOFs)
organic
for
supercapacitors,
well
novel
photovoltaics,
advancing
PCs
carbon-free,
sustainable
society.
We
also
evaluate
potential
development,
prospects,
application
scenarios
this
area
research.
Journal of Composites Science,
Journal Year:
2024,
Volume and Issue:
8(2), P. 53 - 53
Published: Jan. 30, 2024
The
rising
demand
for
energy
storage
systems
with
high
power
density,
rapid
charge/discharge
capabilities,
and
long
cycle
life
has
pushed
extensive
research
into
advanced
materials
supercapacitor
applications.
There
are
several
under
investigation,
among
these
materials,
conductive
polymer
composites
have
emerged
as
promising
candidates
due
to
their
unique
combination
of
electrical
conductivity,
flexibility,
facile
synthesis.
This
review
provides
a
comprehensive
analysis
recent
advancements
in
the
development
application
begins
an
overview
fundamental
principles
governing
conductivity
mechanism,
applications
polymers
specific
requirements
employed
devices.
Subsequently,
it
delves
properties
challenges
associated
implementation
supercapacitors,
highlighting
limitations
pristine
strategies
overcome
drawbacks
through
composite
formation.
In
this
review,
on
supercapacitors
explored,
advantages
disadvantages
discussed.
Finally,
electromechanical
each
elaborated.
