scholarly journals Quantification of the solid-state charge mobility in a model radical polymer

2014 ◽  
Vol 104 (21) ◽  
pp. 213306 ◽  
Author(s):  
Aditya G. Baradwaj ◽  
Lizbeth Rostro ◽  
Muhammad A. Alam ◽  
Bryan W. Boudouris
Keyword(s):  
Solid State ◽  
Charge Mobility ◽  
State Charge

The Influence of Nitrogen Position on Charge Carrier Mobility in Enantiopure Aza[6]helicene Crystals

2018 ◽  
Author(s):  
Francesco Salerno ◽  
Beth Rice ◽  
Julia Schmidt ◽  
Matthew J. Fuchter ◽  
Jenny Nelson ◽  
...  
Keyword(s):  
Solid State ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Chemical Structure ◽  
Crystal Packing ◽  
Charge Carrier Mobility ◽  
Individual Factor ◽  
Charge Mobility ◽  
Order Of Magnitude ◽  
Small Change

<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>

scholarly journals Quantum trajectories for the realistic measurement of a solid-state charge qubit

2005 ◽  
Vol 71 (16) ◽  
Author(s):  
Neil P. Oxtoby ◽  
P. Warszawski ◽  
H. M. Wiseman ◽  
He-Bi Sun ◽  
R. E. S. Polkinghorne
Keyword(s):  
Solid State ◽  
Quantum Trajectories ◽  
Charge Qubit ◽  
State Charge

Solid-State Order and Charge Mobility in [5]- to [12]Cycloparaphenylenes

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

scholarly journals Reduced dynamics with renormalization in solid-state charge qubit measurement

2009 ◽  
Vol 21 (38) ◽  
pp. 385801 ◽  
Author(s):  
Jun Yan Luo ◽  
Hujun Jiao ◽  
Feng Li ◽  
Xin-Qi Li ◽  
Yi Jing Yan
Keyword(s):  
Solid State ◽  
Charge Qubit ◽  
State Charge

Solid-State Charge-Based Device for Control of Catalytic Carbon Monoxide Oxidation on Platinum Nanofilms Using External Bias and Light

Nano Letters ◽  
2012 ◽  
Vol 12 (5) ◽  
pp. 2554-2558 ◽  
Author(s):  
L. Robert Baker ◽  
Antoine Hervier ◽  
Griffin Kennedy ◽  
Gabor A. Somorjai
Keyword(s):  
Carbon Monoxide ◽  
Solid State ◽  
Carbon Monoxide Oxidation ◽  
External Bias ◽  
State Charge
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