TY - JOUR
T1 - Are Transport Models Able to Predict Charge Carrier Mobilities in Organic Semiconductors?
AU - Movaghar, Bijan
AU - Jones, Leighton O.
AU - Ratner, Mark A.
AU - Schatz, George C.
AU - Kohlstedt, Kevin L.
N1 - Funding Information:
Kevin L. Kohlstedt is a research assistant professor of chemistry at Northwestern University. He earned his undergraduate degree in engineering physics from the University of Kansas and a Ph.D. in chemical engineering from Northwestern University. He was a postdoctoral fellow at the University of Michigan. Kevin joined Northwestern University in 2015 as a research faculty in chemistry. Kevin’s research interests involve describing mesoscale phenomena such as charge transport, photonic properties of self-assembled nanostructures, and anisotropic colloidal growth using computational and theoretical frameworks. He uses a variety of approaches to study not only the phenomena of interest but also the energetics and kinetics of the molecular structures. Kevin has numerous publications across a variety of journals. His awards include the DOE Computational Science Graduate Fellowship, Nature Publication Group’s best presentation at the Soft Matter Conference (2012), and the Air Force Summer Faculty Fellowship (2019).
Funding Information:
The authors thank Yuri Berlin for many fruitful discussions. This work was supported by the Center for Light Energy Activated Redox Processes (LEAP) Energy Frontier Research Center under award DE-SC0001059.
Publisher Copyright:
Copyright © 2019 American Chemical Society.
PY - 2019/12/12
Y1 - 2019/12/12
N2 - Organic photovoltaic devices have been steadily becoming more efficient through a combination of reduction in voltage losses, minimization of recombination pathways, and an increase in dimensionality of charge carrier pathways. However, a transport description that predicts the carrier mobility based on the mechanisms behind charge generation and transport in organic semiconducting material blends has been challenging. The complexity is mainly due to the absence of long-range order and the weak band coupling between molecules. In this Feature Article, we discuss charge transport models through a tight-binding lattice model approach. From the introduction of lattice disorder, we make a correlated liquid metal analogy and describe the effects of disorder on transport with quantum mechanical diffusion, Anderson localization, and percolation. We show that it is possible to understand the high- and lowerature mobility data, the factors which limit the mobility, and the nature of the effective mass of charge carriers.
AB - Organic photovoltaic devices have been steadily becoming more efficient through a combination of reduction in voltage losses, minimization of recombination pathways, and an increase in dimensionality of charge carrier pathways. However, a transport description that predicts the carrier mobility based on the mechanisms behind charge generation and transport in organic semiconducting material blends has been challenging. The complexity is mainly due to the absence of long-range order and the weak band coupling between molecules. In this Feature Article, we discuss charge transport models through a tight-binding lattice model approach. From the introduction of lattice disorder, we make a correlated liquid metal analogy and describe the effects of disorder on transport with quantum mechanical diffusion, Anderson localization, and percolation. We show that it is possible to understand the high- and lowerature mobility data, the factors which limit the mobility, and the nature of the effective mass of charge carriers.
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U2 - 10.1021/acs.jpcc.9b06250
DO - 10.1021/acs.jpcc.9b06250
M3 - Article
AN - SCOPUS:85075597290
SN - 1932-7447
VL - 123
SP - 29499
EP - 29512
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 49
ER -