Abstract
Hierarchical
porous
materials
have
attracted
the
attention
of
researchers
due
to
their
enormous
specific
surface
area,
maximized
active
site
utilization
efficiency,
and
unique
structure
properties.
In
this
context,
metal–organic
frameworks
(MOFs)
offer
a
mix
properties
that
make
them
particularly
appealing
as
tunable
substrates
containing
highly
sites.
This
review
focuses
on
recent
advances
in
types
synthetic
strategies
hierarchical
MOFs
derived
materials.
Furthermore,
it
highlights
relationship
between
mass
diffusion
transport
structures
pore
size
with
examples
simulations,
while
identifying
potential
limitations.
On
basis,
how
synthesis
conditions
affect
electrochemical
based
different
is
discussed,
highlighting
prospects
challenges
for
synthetization,
well
further
scientific
research
practical
applications.
Finally,
some
insights
into
current
future
design
ideas
advanced
are
presented.
Resources Environment and Sustainability,
Год журнала:
2022,
Номер
11, С. 100101 - 100101
Опубликована: Дек. 7, 2022
PAHs
are
largely
spread
in
the
aquatic
environment,
and
drawbacks
of
conventional
remediation
techniques
as
well
expenditures
for
alternative
disposal
polluted
sediments
lead
to
seek
more
effective,
environmentally-friendly
sustainable
approaches.
Therefore,
present
review
shows
a
critical
overview
literature
evaluated
with
VOSviewer,
focusing
on
problem
PAH-contaminated
marine
knowledge
available
processes
shed
light
what
research
technology
lack.
This
supplies
specific
information
about
key
factors
affecting
biological,
physical-chemical
thermal
techniques,
carefully
examines
associated
their
employment
remediating
PAH-polluted
by
showing
adequate
alternatives.
The
technologies
thoroughly
discussed
here
biostimulation,
bioaugmentation,
sediment
washing,
carbonaceous
adsorbent
addition
desorption.
environmental
economic
impacts
application
mentioned
have
been
also
taken
into
account.
Finally,
this
new
directions
future
recommendations.
Advanced Functional Materials,
Год журнала:
2023,
Номер
34(43)
Опубликована: Окт. 17, 2023
Abstract
This
review
spotlights
the
role
of
atomic‐level
modeling
in
research
on
metal‐organic
frameworks
(MOFs),
especially
key
methodologies
density
functional
theory
(DFT),
Monte
Carlo
(MC)
simulations,
and
molecular
dynamics
(MD)
simulations.
The
discussion
focuses
how
periodic
cluster‐based
DFT
calculations
can
provide
novel
insights
into
MOF
properties,
with
a
focus
predicting
structural
transformations,
understanding
thermodynamic
properties
catalysis,
providing
information
or
that
are
fed
classical
simulations
such
as
force
field
parameters
partial
charges.
Classical
simulation
methods,
highlighting
selection,
databases
MOFs
for
high‐throughput
screening,
synergistic
nature
MC
MD
described.
By
equilibrium
dynamic
these
methods
offer
wide
perspective
behavior
mechanisms.
Additionally,
incorporation
machine
learning
(ML)
techniques
quantum
is
discussed.
These
enhance
accuracy,
expedite
setup,
reduce
computational
costs,
well
predict
parameters,
optimize
geometries,
estimate
stability.
charting
growth
promise
field,
aim
to
recommendations
facilitate
more
broadly
research.
Nature Communications,
Год журнала:
2023,
Номер
14(1)
Опубликована: Фев. 4, 2023
Uncovering
how
hydrogen
transfers
and
what
factors
control
conductivity
on
solid
surface
is
essential
for
enhancing
catalytic
performance
of
H-involving
reactions,
which
however
hampered
due
to
the
structural
complexity
powder
catalysts,
in
particular,
oxide
catalysts.
Here,
we
construct
stripe-like
MnO(001)
grid-like
Mn
Abstract
Hierarchical
porous
materials
have
attracted
the
attention
of
researchers
due
to
their
enormous
specific
surface
area,
maximized
active
site
utilization
efficiency,
and
unique
structure
properties.
In
this
context,
metal–organic
frameworks
(MOFs)
offer
a
mix
properties
that
make
them
particularly
appealing
as
tunable
substrates
containing
highly
sites.
This
review
focuses
on
recent
advances
in
types
synthetic
strategies
hierarchical
MOFs
derived
materials.
Furthermore,
it
highlights
relationship
between
mass
diffusion
transport
structures
pore
size
with
examples
simulations,
while
identifying
potential
limitations.
On
basis,
how
synthesis
conditions
affect
electrochemical
based
different
is
discussed,
highlighting
prospects
challenges
for
synthetization,
well
further
scientific
research
practical
applications.
Finally,
some
insights
into
current
future
design
ideas
advanced
are
presented.
