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经验公式(希尔记法):
C18H12
化学文摘社编号:
分子量:
228.29
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
EC Number:
202-138-9
Beilstein/REAXYS Number:
1909299
MDL number:
产品名称
苯并 [ b ] 蒽, 98%
InChI
1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
InChI key
IFLREYGFSNHWGE-UHFFFAOYSA-N
SMILES string
c1ccc2cc3cc4ccccc4cc3cc2c1
assay
98%
form
powder
mp
>300 °C (lit.)
orbital energy
HOMO 5.4 eV
LUMO 2.7 eV
OPV device performance
ITO/PEDOT:PSS/tetracene/C60/BCP/Al
semiconductor properties
P-type (mobility=0.4 cm2/V·s)
Quality Level
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存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Efficient photovoltaic energy conversion in tetracene-C60 based heterojunctions
Chu, C.; et al.
Applied Physics Letters, 86, 243506-243506 (2005)
Hazuki Morisaki et al.
Nature communications, 5, 5400-5400 (2014-11-08)
Organic crystals are likely to have a large degree of structural relaxation near their surfaces because of the weak inter-molecular interactions. The design of organic field-effect transistors requires a detailed knowledge of the surface relaxation as the carriers usually transfer
Thomas C Allison et al.
The journal of physical chemistry. A, 119(46), 11329-11365 (2015-10-21)
In this article, the first-principles prediction of enthalpies of formation is demonstrated for 669 polycyclic aromatic hydrocarbon (PAH) compounds and a number of related functionalized molecules. It is shown that by extrapolating density functional theory calculations to a large basis
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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