Structural Dynamics,
Год журнала:
2017,
Номер
4(6)
Опубликована: Ноя. 1, 2017
The
transfer
of
charge
at
the
molecular
level
plays
a
fundamental
role
in
many
areas
chemistry,
physics,
biology
and
materials
science.
Today,
more
than
60
years
after
seminal
work
R.
A.
Marcus,
is
still
very
active
field
research.
An
important
recent
impetus
comes
from
ability
to
resolve
ever
faster
temporal
events,
down
attosecond
time
scale.
Such
high
resolution
now
offers
possibility
unravel
most
elementary
quantum
dynamics
both
electrons
nuclei
that
participate
complex
process
transfer.
This
review
covers
research
addresses
following
questions.
Can
we
reconstruct
migration
across
molecule
on
atomic
length
electronic
scales?
use
strong
laser
fields
control
migration?
temporally
understand
intramolecular
dissociative
ionization
small
molecules,
transition-metal
complexes
conjugated
polymers?
tailor
systems
towards
specific
charge-transfer
processes?
What
are
scales
steps
liquids
nanoparticles?
Important
new
insights
into
each
these
topics,
obtained
state-of-the-art
ultrafast
spectroscopy
and/or
theoretical
methods,
summarized
this
review.
Chemical Reviews,
Год журнала:
2016,
Номер
116(22), С. 13279 - 13412
Опубликована: Окт. 10, 2016
Organic
(opto)electronic
materials
have
received
considerable
attention
due
to
their
applications
in
thin-film-transistors,
light-emitting
diodes,
solar
cells,
sensors,
photorefractive
devices,
and
many
others.
The
technological
promises
include
low
cost
of
these
the
possibility
room-temperature
deposition
from
solution
on
large-area
and/or
flexible
substrates.
article
reviews
current
understanding
physical
mechanisms
that
determine
properties
high-performance
organic
materials.
focus
review
is
photoinduced
processes
electronic
important
for
optoelectronic
relying
charge
carrier
photogeneration.
Additionally,
it
highlights
capabilities
various
experimental
techniques
characterization
materials,
summarizes
top-of-the-line
device
performance,
outlines
recent
trends
further
development
field.
based
both
small
molecules
conjugated
polymers
are
considered,
photodetectors,
devices
discussed.
Nano Letters,
Год журнала:
2015,
Номер
15(5), С. 2794 - 2800
Опубликована: Март 23, 2015
Light
emission
in
two-dimensional
(2D)
transition
metal
dichalcogenides
(TMDs)
changes
significantly
with
the
number
of
layers
and
stacking
sequence.
While
electronic
structure
optical
absorption
are
well
understood
2D-TMDs,
much
less
is
known
about
exciton
dynamics
radiative
recombination.
Here,
we
show
first-principles
calculations
intrinsic
lifetimes
at
low
temperature
(4
K)
room
(300
TMD
monolayers
chemical
formula
MX2
(X
=
Mo,
W,
X
S,
Se),
as
bilayer
bulk
MoS2
two
heterobilayers.
Our
results
elucidate
time
scale
microscopic
origin
light
TMDs.
We
find
a
few
picoseconds
nanoseconds
slower
recombination
than
monolayer
MoS2.
The
MoS2/WS2
MoSe2/WSe2
heterobilayers
exhibit
very
long-lived
(∼20–30
ns
temperature)
interlayer
excitons
constituted
by
electrons
localized
on
Mo-based
holes
W-based
monolayer.
wide
lifetime
tunability,
together
ability
shown
here
to
predict
from
computations,
hold
unique
potential
manipulate
TMDs
their
heterostructures
for
application
optoelectronics
solar
energy
conversion.
Science,
Год журнала:
2015,
Номер
350(6262), С. 790 - 795
Опубликована: Окт. 23, 2015
Electronic
movement
flashing
into
view
Numerous
chemical
processes
begin
with
ionization:
the
ejection
of
an
electron
from
a
molecule.
What
happens
in
immediate
aftermath
that
event?
Kraus
et
al.
explored
this
question
iodoacetylene
by
detecting
and
analyzing
spectrum
emitted
high
harmonics
(see
Perspective
Ueda).
They
traced
migration
residual
positively
charged
hole
along
molecular
axis
on
time
scale
faster
than
quadrillionth
second.
thereby
characterized
capacity
laser
field
to
steer
hole's
motion
appropriately
oriented
molecules.
Science
,
issue
p.
790
;
see
also
740
Proceedings of the National Academy of Sciences,
Год журнала:
2017,
Номер
114(12), С. 3026 - 3034
Опубликована: Март 8, 2017
In
this
work,
we
provide
an
overview
of
how
well-established
concepts
in
the
fields
quantum
chemistry
and
material
sciences
have
to
be
adapted
when
nature
light
becomes
important
correlated
matter-photon
problems.
We
analyze
model
systems
optical
cavities,
where
interaction
is
considered
from
weak-
strong-coupling
limit
for
individual
photon
modes
as
well
multimode
case.
identify
fundamental
changes
Born-Oppenheimer
surfaces,
spectroscopic
quantities,
conical
intersections,
efficiency
control.
conclude
by
applying
our
recently
developed
quantum-electrodynamical
density-functional
theory
spontaneous
emission
show
a
straightforward
approximation
accurately
describes
electron-photon
dynamics.
This
work
paves
way
describe
interactions
first
principles
addresses
emergence
new
states
matter
science.
Advanced Energy Materials,
Год журнала:
2018,
Номер
8(28)
Опубликована: Авг. 1, 2018
Abstract
The
voltage
loss,
determined
by
the
difference
between
optical
gap
(
E
g
)
and
open‐circuit
V
OC
),
is
one
of
most
important
parameters
determining
performance
organic
solar
cells
(OSCs).
However,
variety
different
methods
used
to
determine
makes
it
hard
fairly
compare
voltages
losses
among
material
systems.
In
this
paper,
authors
discuss
various
determination
show
how
they
affect
detailed
calculation
losses,
as
well
predictions
maximum
achievable
power
conversion
efficiency.
aim
paper
make
possible
for
OSC
community
in
a
consistent
reasonable
way.
It
found
that
strongly
absorbed
photons
state‐of‐the‐art
OSCs
are
not
much
less
than
0.6
V,
which
still
must
be
decreased
further
enhance
