Abstract
Organic semiconductors (OSCs) are making great progress as active components in alternative energy and flexible electronics technologies that are of interest to many undergraduates. However, in materials governed by the confluence of multiple length scales (molecular (Angstrom), intermolecular (nm), domain (100s nm)), providing a pedagogically accessible pathway to incorporating OSCs into undergraduate education can be difficult. Here, we provide a multiscale description of OSCs that relies only on concepts covered in typical undergraduate chemistry and chemical engineering curricula: a tight-binding description of molecular orbitals using Hückel theory, the miscibility of intermolecular domains using thermodynamic principles based on the Ising spin model, the incorporation of thermal disorder of both the electronic and molecular states using the Boltzmann distribution, and a simple description of charge percolation using low-level graph theory. We illustrate these topics on a small organic molecule, 1,3,5-hexatriene, simple enough to be utilized in an undergraduate course without resorting to opaque metrics.
| Original language | English |
|---|---|
| Pages (from-to) | 1500-1511 |
| Number of pages | 12 |
| Journal | Journal of Chemical Education |
| Volume | 95 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Sep 11 2018 |
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Keywords
- Analogies/Transfer
- Conformational Analysis
- Interdisciplinary
- Molecular Modeling
- Physical Chemistry
- Polymer Chemistry
- Transport Properties
- Upper-Division Undergraduate
ASJC Scopus subject areas
- Chemistry(all)
- Education
Cite this
Introduction to Organic Semiconductors Using Accessible Undergraduate Chemistry Concepts. / Kohlstedt, Kevin L.; Jackson, Nicholas E.; Savoie, Brett A.; Ratner, Mark A.
In: Journal of Chemical Education, Vol. 95, No. 9, 11.09.2018, p. 1500-1511.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Introduction to Organic Semiconductors Using Accessible Undergraduate Chemistry Concepts
AU - Kohlstedt, Kevin L.
AU - Jackson, Nicholas E.
AU - Savoie, Brett A.
AU - Ratner, Mark A
PY - 2018/9/11
Y1 - 2018/9/11
N2 - Organic semiconductors (OSCs) are making great progress as active components in alternative energy and flexible electronics technologies that are of interest to many undergraduates. However, in materials governed by the confluence of multiple length scales (molecular (Angstrom), intermolecular (nm), domain (100s nm)), providing a pedagogically accessible pathway to incorporating OSCs into undergraduate education can be difficult. Here, we provide a multiscale description of OSCs that relies only on concepts covered in typical undergraduate chemistry and chemical engineering curricula: a tight-binding description of molecular orbitals using Hückel theory, the miscibility of intermolecular domains using thermodynamic principles based on the Ising spin model, the incorporation of thermal disorder of both the electronic and molecular states using the Boltzmann distribution, and a simple description of charge percolation using low-level graph theory. We illustrate these topics on a small organic molecule, 1,3,5-hexatriene, simple enough to be utilized in an undergraduate course without resorting to opaque metrics.
AB - Organic semiconductors (OSCs) are making great progress as active components in alternative energy and flexible electronics technologies that are of interest to many undergraduates. However, in materials governed by the confluence of multiple length scales (molecular (Angstrom), intermolecular (nm), domain (100s nm)), providing a pedagogically accessible pathway to incorporating OSCs into undergraduate education can be difficult. Here, we provide a multiscale description of OSCs that relies only on concepts covered in typical undergraduate chemistry and chemical engineering curricula: a tight-binding description of molecular orbitals using Hückel theory, the miscibility of intermolecular domains using thermodynamic principles based on the Ising spin model, the incorporation of thermal disorder of both the electronic and molecular states using the Boltzmann distribution, and a simple description of charge percolation using low-level graph theory. We illustrate these topics on a small organic molecule, 1,3,5-hexatriene, simple enough to be utilized in an undergraduate course without resorting to opaque metrics.
KW - Analogies/Transfer
KW - Conformational Analysis
KW - Interdisciplinary
KW - Molecular Modeling
KW - Physical Chemistry
KW - Polymer Chemistry
KW - Transport Properties
KW - Upper-Division Undergraduate
UR - http://www.scopus.com/inward/record.url?scp=85053195796&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85053195796&partnerID=8YFLogxK
U2 - 10.1021/acs.jchemed.8b00064
DO - 10.1021/acs.jchemed.8b00064
M3 - Article
VL - 95
SP - 1500
EP - 1511
JO - Journal of Chemical Education
JF - Journal of Chemical Education
SN - 0021-9584
IS - 9
ER -