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684449

Sigma-Aldrich

[6,6]-Phenyl C61 butyric acid methyl ester

>99.5%

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Synonym(s):
1-[3-(Methoxycarbonyl)propyl]-1-phenyl-[6.6]C61, 3′H-Cyclopropa[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid 3′-phenyl methyl ester, PCBM, [60]PCBM
Empirical Formula (Hill Notation):
C72H14O2
CAS Number:
Molecular Weight:
910.88
MDL number:
PubChem Substance ID:

description

functionalized fullerene

Quality Level

Assay

>99.5%

form

solid

Orbital energy

HOMO 6.1 eV 
LUMO 3.7 eV 

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

SMILES string

COC(=O)CCCC2(c1ccccc1)[C]3=4c5c6c7c8c9c%10c(c%11c%12c3c%13c5c%14c%15c6c%16c7c%17c9c%18c%19c%10c%20c%11c%21c%12c%22c%13c%23c%14c%24c%15c%25c%16c%26c%17c%18c%27c%28c%19c%20c%29c%21c%30c%22c%23c%31c%24c%32c%25c%26c%27c%33c%28c%29c%30c%31c%32%33)[C]2=48

InChI

1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3

InChI key

MCEWYIDBDVPMES-UHFFFAOYSA-N

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1 of 4

This Item
684430684457684465
form

solid

form

powder

form

solid

form

powder

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

semiconductor properties

N-type (mobility=0.1 cm2/V·s)

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

description

functionalized fullerene

description

functionalized fullerene

description

functionalized fullerene

description

-

orbital energy

HOMO 6.1 eV 

orbital energy

HOMO 6.1 eV , LUMO 3.7 eV 

orbital energy

HOMO 6.1 eV , LUMO 3.7 eV 

orbital energy

HOMO 6 eV , LUMO 3.9 eV 

General description

(6,6)-Phenyl C61 butyric acid methyl ester ((60) PCBM) is a methanofullerene that has a better diffusion in organic molecules than fullerenes (C60). It has a high electron mobility which allows it to be used as an electron acceptor in major electrochemical applications.
[6,6]-Phenyl C61 butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better diffusion in organic molecules than fullerenes (C60). It has high electron mobility, which allows it to be used as an electron acceptor in major electrochemical applications.

Application

(60)PCBM is an n-type semi-conductor widely used as an a electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics, perovskite solar cells, field effect transistors and photodetectors.
[60]PCBM is an n-type semi-conductor with low cost and high surface area. It is widely used as an electron transport material in various energy-based applications like organic photovoltaics, perovskite solar cells, field effect transistors, and photodetectors.
Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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(60) PCBM single crystals: remarkably enhanced band-like charge transport, broadband UV-visible-NIR photo-responsivity and improved long-term air-stability.
Zhao X, et al.
Journal of Material Chemistry C, 6(20), 5489-5496 (2018)
Stability enhancement of P3HT: PCBM polymer solar cells using thermally evaporated MoO3 anode buffer layer.
Ameen MY, et al.
Physica B: Condensed Matter, 530(24), 201-207 (2018)
Independent control of open-circuit voltage of organic solar cells by changing film thickness of MoO3 buffer layer
Kinoshita, Y.; Takenaka, R.; Murata, H.
Applied Physics Letters, 92, 243309-243309 (2008)
Efficient and highly air stable planar inverted Perovskite solar cells with reduced Graphene oxide doped PCBM electron transporting layer.
Kakavelakis G, et al.
Advanced Energy Materials, 7(7), 1602120-1602120 (2017)
First-principles investigation of organic photovoltaic materials C 60, C 70,(C 60) PCBM, and bis-(C 60) PCBM using a many-body G 0 W 0-Lanczos approach.
Qian X, et al.
Physical Review. B, Condensed Matter and Materials Physics, 91(24), 245105-245105 (2015)

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