Molecular and charge mobility of a poloxamer in the bulk and as soft component in polyurethanes

Polymer ◽  
2019 ◽  
Vol 182 ◽  
pp. 121821 ◽  
Author(s):  
Konstantinos N. Raftopoulos ◽  
Izabela Łukaszewska ◽  
Panagiotis Α. Klonos ◽  
Edyta Hebda ◽  
Artur Bukowczan ◽  
...  
2018 ◽  
Author(s):  
Francesco Salerno ◽  
Beth Rice ◽  
Julia Schmidt ◽  
Matthew J. Fuchter ◽  
Jenny Nelson ◽  
...  

<p>The properties of an organic semiconductor are dependent on both the chemical structure of the molecule involved, and how it is arranged in the solid-state. It is challenging to extract the influence of each individual factor, as small changes in the molecular structure often dramatically change the crystal packing and hence solid-state structure. Here, we use calculations to explore the influence of the nitrogen position on the charge mobility of a chiral organic molecule when the crystal packing is kept constant. The transfer integrals for a series of enantiopure aza[6]helicene crystals sharing the same packing were analysed in order to identify the best supramolecular motifs to promote charge carrier mobility. The regioisomers considered differ only in the positioning of the nitrogen atom in the aromatic scaffold. The simulations showed that even this small change in the chemical structure has a strong effect on the charge transport in the crystal, leading to differences in charge mobility of up to one order of magnitude. Some aza[6]helicene isomers that were packed interlocked with each other showed high HOMO-HOMO integrals (up to 70 meV), whilst molecules arranged with translational symmetry generally afforded the highest LUMO-LUMO integrals (40 - 70 meV). As many of the results are not intuitively obvious, a computational approach provides additional insight into the design of new semiconducting organic materials.</p>


2019 ◽  
Vol 7 (22) ◽  
pp. 6649-6655
Author(s):  
A. López-Andarias ◽  
C. Atienza ◽  
J. López-Andarias ◽  
W. Matsuda ◽  
T. Sakurai ◽  
...  

Effect of the peptide-based quaterthiophene self-assembly process on the charge mobility properties of the n/p-materials formed is studied.


1939 ◽  
Vol 227 (3) ◽  
pp. 419-421
Author(s):  
C.G. Montgomery ◽  
D.D. Montgomery

2018 ◽  
Vol 141 (2) ◽  
pp. 952-960 ◽  
Author(s):  
Janice B. Lin ◽  
Evan R. Darzi ◽  
Ramesh Jasti ◽  
Ilhan Yavuz ◽  
K. N. Houk
Keyword(s):  

2011 ◽  
Vol 109 (9) ◽  
pp. 093707 ◽  
Author(s):  
T. Esward ◽  
S. Knox ◽  
H. Jones ◽  
P. Brewer ◽  
C. Murphy ◽  
...  

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2345-2352 ◽  
Author(s):  
B. MANIL ◽  
P. BODUCH ◽  
A. CASSIMI ◽  
O. KAMALOU ◽  
L. MAUNOURY ◽  
...  

Clusters of C 60 fullerenes are (multi)-ionised in collisions with O 5+ projectiles at a collision energy of 100 keV. The dominant fragmentation channels are analysed by time-of-flight mass spectrometry for different cluster size distributions. Singly charged [Formula: see text], ions are found to be the dominant fragments, in 25% connected with the loss of one or more C 2-units. This result is explained by the large charge mobility in fullerene clusters. Doubly charged fragments, in form of [Formula: see text] and [Formula: see text], contribute to the observed spectrum with less than 5–10% only and are mainly attributed to the fragmentation of dimers. Singly charged small carbon clusters in the size range n = 7 to 19 are formed with low kinetic energies indicating the importance of thermal dissociation processes. The present experiments confirm earlier conclusions on the charge mobility in fullerene clusters.


2006 ◽  
Vol 128 (29) ◽  
pp. 9304-9305 ◽  
Author(s):  
Hong Meng ◽  
Fangping Sun ◽  
Marc B. Goldfinger ◽  
Feng Gao ◽  
David J. Londono ◽  
...  

1954 ◽  
Vol 95 (2) ◽  
pp. 516-521 ◽  
Author(s):  
H. S. Green ◽  
O. Bergmann

2003 ◽  
Vol 135-136 ◽  
pp. 5-6
Author(s):  
I.N. Hulea ◽  
H.B. Brom ◽  
K. Brunner ◽  
R.F.J.v.d. Scheer ◽  
M.A.J. Michels

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