Charge Carrier Mobility in Fluorinated Phenoxy Boron Subphthalocyanines: Role of Solid State Packing

2012 ◽  
Vol 12 (3) ◽  
pp. 1095-1100 ◽  
Author(s):  
Jeffrey S. Castrucci ◽  
Michael G. Helander ◽  
Graham E. Morse ◽  
Zheng-Hong Lu ◽  
Christopher M. Yip ◽  
...  
Keyword(s):  
Solid State ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility

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>

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>

On the role of local charge carrier mobility in the charge separation mechanism of organic photovoltaics

2015 ◽  
Vol 17 (27) ◽  
pp. 17778-17784 ◽  
Author(s):  
Saya Yoshikawa ◽  
Akinori Saeki ◽  
Masahiko Saito ◽  
Itaru Osaka ◽  
Shu Seki
Keyword(s):  
Charge Carrier ◽  
Charge Separation ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Transport Processes ◽  
Organic Photovoltaic ◽  
Separation Mechanism ◽  
Geminate Recombination ◽  
Local Charge

Although the charge separation (CS) and transport processes that compete with geminate and non-geminate recombination are commonly regarded as the governing factors of organic photovoltaic (OPV) efficiency, the details of the CS mechanism remain largely unexplored.

Organic–inorganic hybrid perovskite quantum dots with high PLQY and enhanced carrier mobility through crystallinity control by solvent engineering and solid-state ligand exchange

Nanoscale ◽  
2018 ◽  
Vol 10 (28) ◽  
pp. 13356-13367 ◽  
Author(s):  
Jin Woo Choi ◽  
Hee Chul Woo ◽  
Xiaoguang Huang ◽  
Wan-Gil Jung ◽  
Bong-Joong Kim ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Solid State ◽  
Charge Carrier ◽  
Ligand Exchange ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Solvent Engineering ◽  
Inorganic Hybrid ◽  
Hybrid Perovskite ◽  
Perovskite Quantum Dots

PLQY and charge carrier mobility of perovskite quantum QDs were enhanced by the optimization of crystallinity and solid-state ligand exchange.

scholarly journals Role of Gd in Enhancing the Charge Carrier Mobility of Spray‐Deposited BiVO 4 Photoanodes

Solar RRL ◽  
2021 ◽  
Author(s):  
Surassa Sriwichai ◽  
Rowshanak Irani ◽  
Fanxing Xi ◽  
Dennis Friedrich ◽  
Christian Höhn ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility

Modeling Polymer Dielectric/Pentacene Interfaces: On the Role of Electrostatic Energy Disorder on Charge Carrier Mobility

2009 ◽  
Vol 19 (20) ◽  
pp. 3254-3261 ◽  
Author(s):  
Nicolas G. Martinelli ◽  
Matteo Savini ◽  
Luca Muccioli ◽  
Yoann Olivier ◽  
Frédéric Castet ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Electrostatic Energy ◽  
Polymer Dielectric ◽  
Energy Disorder
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