Electronic Structure and Mobility of Alkylated and Nonalkylated Organic Semiconductors: Role of van der Waals Interactions

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概要

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• We present a comparison based on first-principles calculations of the electronic structure of nonalkylated and alkylated dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: DNTT and DNTT-C<inf>10</inf>. The calculations show that the addition of alkyl chains decreases intermolecular distances, in agreement with experiments. Calculations indicate that effective masses are reduced by the addition of alkyl chains, and within a simple deformation potential model, this translates into higher mobility for DNTT-C<inf>10</inf>. The shorter intermolecular distances found in DNTT-C<inf>10</inf>are attributed to van der Waals interactions between alkyl chains.

• 2013-07-25

著者

• NORTHRUP John

  Palo Alto Research Center, Inc.

• Northrup John

  Palo Alto Research Center, Palo Alto, CA 94304, U.S.A.

• Xie Weiyu

  Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, U.S.A.

• Sun Yi-Yang

  Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, U.S.A.

• Zhang Shengbai

  Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY 12180, U.S.A.

関連論文

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• Electronic Structure and Mobility of Alkylated and Nonalkylated Organic Semiconductors: Role of van der Waals Interactions
• In-Well Pumped Blue GaN-Based Vertical-External-Cavity Surface-Emitting Lasers
• Electronic Structure and Mobility of Alkylated and Nonalkylated Organic Semiconductors : Role of van der Waals Interactions

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