PCE11 (PffBT4T-2OD)

PCE11 (PffBT4T-2OD) chemical structure
Order Code: M301
MSDS sheet

Price

(excluding Taxes)

£295.70

 

Pricing

Batch Quantity Price
M301/M302 100 mg £295.7
M302 250 mg £619.6
M302 500 mg £1082.2
M302 1 g £1702.8

General Information

Full name Poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3’’’-di(2-octyldodecyl)-2,2’;5’,2’’;5’’,2’’’-quaterthiophen-5,5’’’-diyl)]
Synonyms PffBT4T-2OD
Chemical formula (C62H88F2N2S5)n
CAS number 1644164-62-4
HOMO / LUMO HOMO = -5.34 eV, LUMO = -3.69 eV [1]
Classification / Family

Benzothiadiazole, Fluorinated benzothiadiazole, Heterocyclic five-membered ring, Organic semiconducting materials, Low band gap polymers, Organic Photovoltaics, Polymer Solar Cells

 

 Batch details

Batch number MW MN PDI Stock Info
M301 117,490 54,900 2.14 Low in stock
M302 172,033 83,008 2.07 Low In stock

 Note: Processing solvents for M301 is chlorobenzene (CB) and dichlorobenzene (DCB, v/v = 1:1) and M302 is DCB.

Characterisation

Molecular weight distribution of PCE11 (PffBT4T-2OD, chlorobenzene fraction) from GPC
Molecular weight distribution of PCE11 chlorobenzene Soxhlet fraction by GPC. (Soxhlet extraction was carried out by using methanol, acetone, hexane and then chlorobenzene as washing solvents under argon. Chlorobenzene fraction was concentrated and then precipitated with methanol, dried under vacuum at 40 oC for 48 hours. GPC was carried out by using 1,2,4-trichlorobenzene as eluent at 140 oC by using polystyrene as standards).

 

chemical structure of PCE11 (PffBT4T-2OD)
Chemical structure of PCE11 (PFFBT4T-2OD); Chemical formula: (C62H88F2N2S5)n.

 

Applications

PffBT4T-2OD (PCE11) is a low band-gap (1.65 eV) semiconducting polymer for organic photovoltaics (OPVs), which has reached power conversion efficiencies (PCEs) approaching 11% [1]. These efficiencies are a result of the high crystallinity of the polymer, providing excellent hole transport mobilities on the order of 10-2 cm2V-1s-1, and the ability to use a thick active layer, resulting in improved light absorption.

The size and position of the alkyl chains of PffBT4T-2OD are critical to its temperature dependant aggregation properties, enabling control over the aggregation and crystallisation of the polymer to produce an efficient donor:acceptor film morphology.

Polymer PCE11 was targeted by reacting 4,7-bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]-thiadiazole with 2,5-bis(trimethylstannyl)thieno[3,2-b]thiophene engaging Stille Coupling reaction.

pce11-pffbt4t-2od-synthesis 4,7-bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]-thiadiazole with 2,5-bis(trimethylstannyl)thieno[3,2-b]thiophene
PCE11 (PffBT4T-2OD) synthesis with 4,7-bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]-thiadiazole with 2,5-bis(trimethylstannyl)thieno[3,2-b]thiophene as starting materials engaging Stille Coupling reaction.

 

Usage Details

The structure of the high-performance (10 - 11%) devices was:

ITO / ZnO / PffBT4T-2OD:PC70BM (200 – 300 nm) / MoO3 or V2O5 (20 nm) / Al (100 nm)

PffBT4T-2OD:PC70BM solution details:

  • Blend ratio: 1:1.2,
  • Polymer concentration: 9 mg/ml,
  • Solvent: 1:1 blend of chlorobenzene and dichlorobenzene,
  • Additive: 3% diiodooctane,
  • Heating: 85°C for dissolution,

It is important to note that this solution (and the substrate being deposited onto) must be heated for spin casting, with the ideal temperature being 60 – 80°C. It is reported that a solution and substrate pre-heating temperature of 110°C should be used to allow for cooling that will occur before deposition.

 

Literature and Reviews

  1. Aggregation and morphology control enables multiple cases of high-efficiency polymer solar cells, Y. Liu, et al., Nat. Comm., 5, 5293 (2014)
  2. High-efficiency non-fullerene organic solar cells enabled by a difluorobenzothiadiazole-based donor polymer combined with a properly matched small molecule acceptor, J. Zhao et al., Energy Environ. Sci., 8, 520-525 (2015)