scholarly journals First-principles simulations of exciton diffusion in organic semiconductors

2011 ◽  
Vol 84 (23) ◽  
Author(s):  
Xu Zhang ◽  
Zi Li ◽  
Gang Lu
Keyword(s):  
Organic Semiconductors ◽  
First Principles ◽  
Exciton Diffusion

scholarly journals Long-range exciton diffusion in molecular non-fullerene acceptors

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Yuliar Firdaus ◽  
Vincent M. Le Corre ◽  
Safakath Karuthedath ◽  
Wenlan Liu ◽  
Anastasia Markina ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Diffusion Length ◽  
Crystal Packing ◽  
Maximum Size ◽  
Exciton Diffusion ◽  
Exciton Diffusion Length ◽  
Donor And Acceptor ◽  
Wide Range ◽  
20 Nm ◽  
End Group

Abstract The short exciton diffusion length associated with most classical organic semiconductors used in organic photovoltaics (5-20 nm) imposes severe limits on the maximum size of the donor and acceptor domains within the photoactive layer of the cell. Identifying materials that are able to transport excitons over longer distances can help advancing our understanding and lead to solar cells with higher efficiency. Here, we measure the exciton diffusion length in a wide range of nonfullerene acceptor molecules using two different experimental techniques based on photocurrent and ultrafast spectroscopy measurements. The acceptors exhibit balanced ambipolar charge transport and surprisingly long exciton diffusion lengths in the range of 20 to 47 nm. With the aid of quantum-chemical calculations, we are able to rationalize the exciton dynamics and draw basic chemical design rules, particularly on the importance of the end-group substituent on the crystal packing of nonfullerene acceptors.

Controlled electrical doping of organic semiconductors: a combined intra- and intermolecular perspective from first principles

2016 ◽  
Vol 18 (27) ◽  
pp. 17890-17897 ◽  
Author(s):  
Bora Joo ◽  
Eung-Gun Kim
Keyword(s):  
Charge Transfer ◽  
Organic Semiconductors ◽  
First Principles ◽  
Full Account ◽  
Geometric Changes

Despite doping being an intermolecular process, the identification of the transfer modes requires a full account of intramolecular geometric changes during charge transfer.

Observation of long-range exciton diffusion in highly ordered organic semiconductors

2010 ◽  
Vol 9 (11) ◽  
pp. 938-943 ◽  
Author(s):  
H. Najafov ◽  
B. Lee ◽  
Q. Zhou ◽  
L. C. Feldman ◽  
V. Podzorov
Keyword(s):  
Long Range ◽  
Organic Semiconductors ◽  
Exciton Diffusion

Simultaneous enhancement of charge transport and exciton diffusion in single-crystal-like organic semiconductors

2012 ◽  
Vol 100 (10) ◽  
pp. 103305 ◽  
Author(s):  
Jianbing Yang ◽  
Feng Zhu ◽  
Bo Yu ◽  
Haibo Wang ◽  
Donghang Yan
Keyword(s):  
Single Crystal ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Exciton Diffusion

First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors

2009 ◽  
Vol 113 (26) ◽  
pp. 8813-8819 ◽  
Author(s):  
Shu-Hao Wen ◽  
An Li ◽  
Junling Song ◽  
Wei-Qiao Deng ◽  
Ke-Li Han ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
First Principles

Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors

2014 ◽  
Vol 136 (26) ◽  
pp. 9327-9337 ◽  
Author(s):  
Volker Settels ◽  
Alexander Schubert ◽  
Maxim Tafipolski ◽  
Wenlan Liu ◽  
Vera Stehr ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Relaxation Processes ◽  
Exciton Diffusion ◽  
Ultrafast Relaxation
Sign in / Sign up

Export Citation Format

Share Document