Van
der
Waals
heterostructures
(vdWHs)
have
garnered
significant
interest
as
unique
structures
for
future
nanoelectronic
devices.
A
novel
BC6N/ZnO
vdWH
was
prepared
by
superimposing
BC6N
semiconductor
wafers
onto
a
hexagonal
ZnO
monolayer.
The
electronic
structure,
optical
absorptivity,
and
power
conversion
efficiency
(PCE)
of
the
under
tensile
strain
were
studied
using
first-principles
calculations.
band
structure
exhibits
type-I
alignment
with
direct
bandgap
1.92
eV.
is
transformed
into
type-II
indirect
when
uniaxial
biaxial
strains
increase
to
10%.
increased
(from
2.20
eV)
monotonically
(0%–10%)
but
nearly
independent
strain.
exhibited
wide
range
strong
absorption
in
ultraviolet
(UV)–visible
range;
absorptivity
curve
red-shifted,
showed
UV
region
increasing
PCE
reached
22.5%
15.3%
10%
strains,
respectively.
tunable
excellent
ultrahigh
provide
important
guidance
designing
two-dimensional
high-efficiency
photovoltaic
Van
der
Waals
heterostructures
(vdWHs)
have
garnered
significant
interest
as
unique
structures
for
future
nanoelectronic
devices.
A
novel
BC6N/ZnO
vdWH
was
prepared
by
superimposing
BC6N
semiconductor
wafers
onto
a
hexagonal
ZnO
monolayer.
The
electronic
structure,
optical
absorptivity,
and
power
conversion
efficiency
(PCE)
of
the
under
tensile
strain
were
studied
using
first-principles
calculations.
band
structure
exhibits
type-I
alignment
with
direct
bandgap
1.92
eV.
is
transformed
into
type-II
indirect
when
uniaxial
biaxial
strains
increase
to
10%.
increased
(from
2.20
eV)
monotonically
(0%–10%)
but
nearly
independent
strain.
exhibited
wide
range
strong
absorption
in
ultraviolet
(UV)–visible
range;
absorptivity
curve
red-shifted,
showed
UV
region
increasing
PCE
reached
22.5%
15.3%
10%
strains,
respectively.
tunable
excellent
ultrahigh
provide
important
guidance
designing
two-dimensional
high-efficiency
photovoltaic
Van
der
Waals
heterostructures
(vdWHs)
have
garnered
significant
interest
as
unique
structures
for
future
nanoelectronic
devices.
A
novel
BC6N/ZnO
vdWH
was
prepared
by
superimposing
BC6N
semiconductor
wafers
onto
a
hexagonal
ZnO
monolayer.
The
electronic
structure,
optical
absorptivity,
and
power
conversion
efficiency
(PCE)
of
the
under
tensile
strain
were
studied
using
first-principles
calculations.
band
structure
exhibits
type-I
alignment
with
direct
bandgap
1.92
eV.
is
transformed
into
type-II
indirect
when
uniaxial
biaxial
strains
increase
to
10%.
increased
(from
2.20
eV)
monotonically
(0%–10%)
but
nearly
independent
strain.
exhibited
wide
range
strong
absorption
in
ultraviolet
(UV)–visible
range;
absorptivity
curve
red-shifted,
showed
UV
region
increasing
PCE
reached
22.5%
15.3%
10%
strains,
respectively.
tunable
excellent
ultrahigh
provide
important
guidance
designing
two-dimensional
high-efficiency
photovoltaic
