Implementing advanced interfacial engineering strategies for highly efficient hybrid solar cells
Acronym: IMAGINE-HYSOL
Figures
Fig. 1 a) OPV device/materials structure. Here, a
blend of P3HT or another lower gap donor
polymer with a fullerene acceptor comprise the
photoactive layer.
MoO3
Mo6+
CB
Fig. 1 b) A simplified energy diagram of an OPV
as in Fig. 1a) at short circuit. The main processes
are (a) photon absorption (b) exciton diffusion, (c)
electron transfer, and (d) charge transport.
CB
O2σ*
CB
LUMO
5p
5s
LUMO
cathode
σ*
Gap states
Μο-Μο
eg
4d
Μο-Μο
t2g
MoO3
MoO3-x+ e-
π
EF
pπ
pσ
s
HOMO
anode
Gap states
σ
Active layer
HOMO
Active layer
VB HEL
VB
Fig. 2 a) Band structure of MoO3. Occupied O 2p
orbitals comprise the VB, while empty Mo 4d
orbitals comprise the CB. Schematic illustration of
filling the gap states upon reduction (n-type
doping).
ETL VB
Fig. 2 (b) Hole (left) and electron (right) extraction
from the active layer’s HOMO and LUMO to the
anode and cathode Fermi level, via the lower and the
upper gap states of the reduced MO, respectively.
3.7 eV
SiW12O404PW12O403P2W18O626-
X
M
O
4.3 eV
P2W18O626-
5.0 eV
PMo12O4035.2 eV
P2Mo18O626Fig. 3 a) Keggin (top) and W-D (bottom) POM Fig. 3 b) Organic salts with a triphenylsulfonium
structures along with representative LUMO levels.
cation and four different anions.
1
COOMe
H3C
NH
N
N
CH3
MeOOC
COOMe
N
MeOOC
COOMe
N
N
H
N
H
HN
N
N
N
N
H
N
H
N
N
N
CH3
N
N
H3 C
CH3
N
H 3C
CH3
COO-
-OOC
NH
COO-
-OOC
COO-
N
-OOC
COON
N
H
N
H
HN
N
N
N
N
N
H
N
H
N
N
-OOC
N
COO-
Fig. 4. Representative structures of the proposed porphyrins upon functionalization with varying side groups.
3.0 eV
e-
Al
POM or MO3-x
Polymer:fullerene/POM
h
Glass
Substrate
Fig.
5
a)
Representative
architecture of HyOPVs with MO
and POM based CILs (x≥0,
depending on degree of reduction)
Al
LUMO
POM
ee-
eh+
MO3-x
ITO
3.7 eV
h+
PEDOT:PSS
ITO/
MO3-x
5.2 eV
h+
Al
4.3 eV
HOMO
P3HT
5.0 eV
h+
Charge
recombination
interconnecting
layer
1st unit
PCBM
6.1 eV
POM
7.4 eV
Fig. 5 b) Energy diagram for a
P3HT:PCBM/POM HyOPV with
a MO3-x HEL/HTL and a POM
EEL/ETL with adjustable LUMO.
2
2nd unit
photoactive layer II
Glass/PET
MOx
e- e- MOx/POM
h+
POM
MO
x/POM
photoactive layer I
MOx
Glass/ITO
Fig. 5 c) A 2-unit stacked tandem
HyOPV with a MOx/POM (x≤3)
based interconnector and different
photoactive layers.