Deciphering Structure‐Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm
Zhongyuan Guo,
No information about this author
Yihong Yu,
No information about this author
Congcong Li
No information about this author
et al.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(12)
Published: Jan. 29, 2024
Abstract
Authentic
surface
structures
under
reaction
conditions
determine
the
activity
and
selectivity
of
electrocatalysts,
therefore,
knowledge
structure‐activity
relationship
can
facilitate
design
efficient
catalyst
for
specific
reactivity
requirements.
However,
understanding
between
a
more
realistic
active
its
performance
is
challenging
due
to
complicated
interface
microenvironment
in
electrocatalysis.
Herein,
we
proposed
standard
research
paradigm
effectively
decipher
electrocatalysis,
which
exemplified
CO
2
electroreduction
over
SnO
.
The
practice
has
aided
discovering
authentic/resting
states
(Sn
layer)
accountable
electrochemical
reduction
(CO
RR)
electrocatalytic
conditions,
then
corroborated
subsequent
RR
experiments
with
different
morphologies
(nanorods,
nanoparticles,
nanosheets)
combination
situ
characterizations.
This
methodology
further
extended
providing
helpful
insights
into
catalytic
structures.
It
believed
that
our
also
applicable
other
systems,
meantime,
decreases
discrepancy
theory
experiments,
accelerates
achieve
sustainable
energy
conversion.
Language: Английский
Lattice hydrogen transfer in titanium hydride enhances electrocatalytic nitrate to ammonia conversion
Jia‐Wei Li,
No information about this author
Wanqiang Yu,
No information about this author
Haifeng Yuan
No information about this author
et al.
Nature Communications,
Journal Year:
2024,
Volume and Issue:
15(1)
Published: Nov. 3, 2024
The
electrocatalytic
reduction
of
nitrate
toward
ammonia
under
mild
conditions
addresses
many
challenges
the
Haber-Bosch
reaction,
providing
a
sustainable
method
for
synthesis,
yet
it
is
limited
by
sluggish
kinetics
and
multiple
competing
reactions.
Here,
titanium
hydride
electrocatalyst
synthesized
electrochemical
hydrogenation
reconstruction
fiber
paper,
which
achieves
large
yield
rate
83.64
mg
h−1
cm−2
high
Faradaic
efficiency
99.11%
with
an
ampere-level
current
density
1.05
A
at
−0.7
V
versus
reversible
hydrogen
electrode.
Electrochemical
evaluation
kinetic
studies
indicate
that
lattice
transfer
from
promotes
performance
reaction
equilibrium
between
activate
not
only
improves
activity
but
also
demonstrates
notable
catalytic
stability.
These
finding
offers
universal
design
principle
metal
hydrides
as
catalysts
effectively
production,
highlighting
their
potential
synthesis.
to
alternative
process.
authors
report
mechanism
enhances
enabling
reactions
active
hydrogen.
Language: Английский
High-Throughput Screening of Sulfur Reduction Reaction Catalysts Utilizing Electronic Fingerprint Similarity
JACS Au,
Journal Year:
2024,
Volume and Issue:
4(3), P. 930 - 939
Published: Feb. 27, 2024
The
catalytic
performance
is
determined
by
the
electronic
structure
near
Fermi
level.
This
study
presents
an
effective
and
simple
screening
descriptor,
i.e.,
one-dimensional
density
of
states
(1D-DOS)
fingerprint
similarity,
to
identify
potential
catalysts
for
sulfur
reduction
reaction
(SRR)
in
lithium–sulfur
batteries.
Δ1D-DOS
relation
benchmark
W2CS2
was
calculated.
method
effectively
distinguishes
identifies
30
candidates
SRR
from
420
types
MXenes.
Further
analysis
Gibbs
free
energy
profiles
reveals
that
MXene
exhibit
promising
thermodynamic
properties
SRR,
with
protocol
achieving
accuracy
rate
exceeding
93%.
Based
on
crystal
orbital
Hamilton
population
(COHP)
differential
charge
analysis,
it
confirmed
could
differentiate
interaction
between
MXenes
lithium
polysulfide
(LiPS)
intermediates.
underscores
importance
thus
may
pave
a
new
way
future
high-throughput
material
storage
applications.
Language: Английский
Metal Nitride Catalysts for Photoelectrochemical and Electrochemical Catalysis
Hee Ryeong Kwon,
No information about this author
Jin Wook Yang,
No information about this author
Ho Won Jang
No information about this author
et al.
Exploration,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 2, 2025
ABSTRACT
Metal
nitrides
have
emerged
as
promising
materials
for
photoelectrochemical
and
electrochemical
catalysis
due
to
their
unique
electronic
properties
structural
versatility,
offering
high
electrical
conductivity
abundant
active
sites
catalytic
reactions.
Herein,
we
comprehensively
explore
the
characteristics,
synthesis,
application
of
diverse
metal
nitride
catalysts.
Fundamental
features
advantages
are
presented
in
terms
structure
surface
chemistry.
We
deal
with
synthetic
principles
parameters
catalysts
nitrogen
source,
introducing
synthesis
strategies
various
morphologies
phases.
Recent
progress
(photo)electrochemical
reactions,
such
hydrogen
evolution,
oxygen
reduction,
carbon
dioxide
biomass
valorization
is
discussed
tailored
roles.
By
providing
future
direction
remaining
challenges,
this
review
aims
guide
design
from
a
point
view,
contributing
expanding
into
energy
environmental
technologies.
Language: Английский
Biomimetic Elastic Single‐Atom Protrusions Enhance Ammonia Electrosynthesis
Yuntong Sun,
No information about this author
Yin Huang,
No information about this author
Fanglei Yao
No information about this author
et al.
Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 6, 2024
Abstract
Electrocatalytic
nitrogen
(N
2
)
reduction
reaction
(eNRR)
is
a
promising
route
for
sustainable
ammonia
(NH
3
generation,
but
the
eNRR
efficiency
dramatically
impeded
by
sluggish
kinetics.
Herein,
inspired
dynamic
extension‐contraction
of
sea
anemone
tentacles
in
response
to
environmental
changes,
we
propose
biomimetic
elastic
Mo
single‐atom
protrusion
on
vanadium
oxide
support
(pSA
Mo/VOH)
electrocatalyst
featuring
symmetry‐breaking
site
and
an
Mo−O
4
pyramid
efficient
eNRR.
In
situ
spectroscopy
theoretical
calculations
reveal
that
protruding
Mo‐induced
structure
optimizes
d‐electron
filling
Mo,
enhancing
back‐donation
π*
antibonding
orbital,
effectively
polarizing
N≡N
bond
reducing
barrier
from
*N
H.
Notably,
pyramidal
pSA
provides
microenvironment
during
continuous
processes.
This
electronic
sites
based
different
intermediates,
adsorption
various
N
intermediates
maintaining
low
barriers
throughout
six‐step
hydrogenation
process.
Consequently,
Mo/VOH
exhibits
excellent
NH
yield
rate
50.71±1.12
μg
h
−1
mg
Faradaic
35.38±1.03
%,
outperforming
most
electrocatalysts.
Language: Английский
Deciphering Structure‐Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm
Zhongyuan Guo,
No information about this author
Yihong Yu,
No information about this author
Congcong Li
No information about this author
et al.
Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
136(12)
Published: Jan. 29, 2024
Abstract
Authentic
surface
structures
under
reaction
conditions
determine
the
activity
and
selectivity
of
electrocatalysts,
therefore,
knowledge
structure‐activity
relationship
can
facilitate
design
efficient
catalyst
for
specific
reactivity
requirements.
However,
understanding
between
a
more
realistic
active
its
performance
is
challenging
due
to
complicated
interface
microenvironment
in
electrocatalysis.
Herein,
we
proposed
standard
research
paradigm
effectively
decipher
electrocatalysis,
which
exemplified
CO
2
electroreduction
over
SnO
.
The
practice
has
aided
discovering
authentic/resting
states
(Sn
layer)
accountable
electrochemical
reduction
(CO
RR)
electrocatalytic
conditions,
then
corroborated
subsequent
RR
experiments
with
different
morphologies
(nanorods,
nanoparticles,
nanosheets)
combination
situ
characterizations.
This
methodology
further
extended
providing
helpful
insights
into
catalytic
structures.
It
believed
that
our
also
applicable
other
systems,
meantime,
decreases
discrepancy
theory
experiments,
accelerates
achieve
sustainable
energy
conversion.
Language: Английский
Biomimetic Elastic Single‐Atom Protrusions Enhance Ammonia Electrosynthesis
Yuntong Sun,
No information about this author
Yin Huang,
No information about this author
Fanglei Yao
No information about this author
et al.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 6, 2024
Abstract
Electrocatalytic
nitrogen
(N
2
)
reduction
reaction
(eNRR)
is
a
promising
route
for
sustainable
ammonia
(NH
3
generation,
but
the
eNRR
efficiency
dramatically
impeded
by
sluggish
kinetics.
Herein,
inspired
dynamic
extension‐contraction
of
sea
anemone
tentacles
in
response
to
environmental
changes,
we
propose
biomimetic
elastic
Mo
single‐atom
protrusion
on
vanadium
oxide
support
(pSA
Mo/VOH)
electrocatalyst
featuring
symmetry‐breaking
site
and
an
Mo−O
4
pyramid
efficient
eNRR.
In
situ
spectroscopy
theoretical
calculations
reveal
that
protruding
Mo‐induced
structure
optimizes
d‐electron
filling
Mo,
enhancing
back‐donation
π*
antibonding
orbital,
effectively
polarizing
N≡N
bond
reducing
barrier
from
*N
H.
Notably,
pyramidal
pSA
provides
microenvironment
during
continuous
processes.
This
electronic
sites
based
different
intermediates,
adsorption
various
N
intermediates
maintaining
low
barriers
throughout
six‐step
hydrogenation
process.
Consequently,
Mo/VOH
exhibits
excellent
NH
yield
rate
50.71±1.12
μg
h
−1
mg
Faradaic
35.38±1.03
%,
outperforming
most
electrocatalysts.
Language: Английский
Rational Design of Water Splitting Electrocatalysts through Computational Insights
Mingcheng Zhang,
No information about this author
Yu-Chang Hou,
No information about this author
Yuzhu Jiang
No information about this author
et al.
Chemical Communications,
Journal Year:
2024,
Volume and Issue:
60(98), P. 14521 - 14536
Published: Jan. 1, 2024
This
article
highlights
recent
advances
in
computational
design
of
water
splitting
electrocatalysts,
and
emphasizes
the
unique
insights
predictive
power
for
improving
catalyst
performance.
Language: Английский
Defect Engineering of Metal‐Based Atomically Thin Materials for Catalyzing Small‐Molecule Conversion Reactions
Juanjuan Huo,
No information about this author
Yuhai Dou,
No information about this author
Chao Wu
No information about this author
et al.
Advanced Materials,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 20, 2024
Abstract
Recently,
metal‐based
atomically
thin
materials
(M‐ATMs)
have
experienced
rapid
development
due
to
their
large
specific
surface
areas,
abundant
electrochemically
accessible
sites,
attractive
chemistry,
and
strong
in‐plane
chemical
bonds.
These
characteristics
make
them
highly
desirable
for
energy‐related
conversion
reactions.
However,
the
insufficient
active
sites
slow
reaction
kinetics
leading
unsatisfactory
electrocatalytic
performance
limited
commercial
application.
To
address
these
issues,
defect
engineering
of
M‐ATMs
has
emerged
increase
modify
electronic
structure,
enhance
catalytic
reactivity
stability.
This
review
provides
a
comprehensive
summary
strategies
M‐ATM
nanostructures,
including
vacancy
creation,
heteroatom
doping,
amorphous
phase/grain
boundary
generation,
heterointerface
construction.
Introducing
recent
advancements
in
application
electrochemical
small
molecule
reactions
(e.g.,
hydrogen,
oxygen,
carbon
dioxide,
nitrogen,
sulfur),
which
can
contribute
circular
economy
by
recycling
molecules
like
H
2
,
O
CO
N
S.
Furthermore,
crucial
link
between
reconstruction
atomic‐level
structure
activity
via
analyzing
dynamic
evolution
during
process
is
established.
The
also
outlines
challenges
prospects
associated
with
M‐ATM‐based
catalysts
inspire
further
research
efforts
developing
high‐performance
M‐ATMs.
Language: Английский
Protonic ceramic electrochemical cells: Opportunities and challenges for ammonia synthesis
Qinyi Hu,
No information about this author
Chuan Tian,
No information about this author
Di Bao
No information about this author
et al.
Next Energy,
Journal Year:
2024,
Volume and Issue:
4, P. 100144 - 100144
Published: May 29, 2024
Electrochemical
ammonia
synthesis
is
being
widely
investigated
to
couple
with
renewable
electricity
for
future
sustainable
production.
Protonic
ceramic
electrochemical
cells
(PCECs)
possess
superior
energy
transfer
efficiency
and
remarkable
flexibility
produce
high-demand
chemicals
such
as
H2,
CH4,
NH3
from
readily
available
feedstocks
(e.g.,
H2O,
CO2,
N2).
Despite
recent
advances
that
have
been
established,
the
research
high-efficiency
PCECs
practical
continues.
In
this
review,
we
summarized
progress
of
synthesis.
First,
briefly
introduce
basic
mechanisms
protocols
Then,
systemically
cell
configurations,
representative
electrolytes
electrodes
We
highlight
strategies
tune
ion/electron
mobility
catalytic
performance,
which
are
related
defect
structures
redox
properties
electrolyte/electrode,
opportunities
next-generation
Finally,
perspectives
on
in
proposed
consering
current
challenges.
Language: Английский