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:
George C. Schatz is the Charles E. and Emma H. Morrison Professor of Chemistry and of Chemical and Biological Engineering at Northwestern University. He received his undergraduate degree in chemistry at Clarkson University and a Ph.D. at Caltech. He was a postdoctoral researcher at MIT and has been at Northwestern since 1976. Schatz has published 3 books and more than 800 papers. He is a member of the National Academy of Sciences, the American Academy of Arts and Sciences, the International Academy of Quantum Molecular Sciences, and has been Editor-in-Chief of the Journal of Physical Chemistry since 2005. Awards include Sloan and Dreyfus Fellowships, the Fresenius Award of Phi Lambda Upsilon, the Max Planck Research Award, the Bourke Medal of the Royal Society of Chemistry, the Ver Steeg Fellowship of Northwestern University, the Feynman Prize of the Foresight Institute, the Herschbach Medal, the Debye and Langmuir Awards of the ACS, the S F Boys-A Rahman Award of the Royal Society of Chemistry, the 2014 Hirschfelder Award of the University of Wisconsin, and the 2014 Mulliken Medal of the University of Chicago. He is a fellow of the American Physical Society, the Royal Society of Chemistry, the American Chemical Society, and the AAAS. He was honored in the George C. Schatz Festschrift of the Journal of Physical Chemistry A , Vol 113, 2009. In 2010, he appeared on the Times Higher Education list of Top 100 Chemists of the Past Decade, and in 2014 he was on the Thompson-Reuters list of highest-cited scientists.
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.
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
VL - 123
SP - 29499
EP - 29512
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 49
ER -