Title: Block copolymer templated self-assembly of disk-shaped molecules

Abstract

Stacking of disk-shaped organic molecules is a promising strategy to develop electronic and photovoltaic devices. Here, we investigate the capability of a soft block copolymer matrix that microphase separates into a cylindrical phase to direct the self-assembly of disk-shaped molecules by means of molecular simulations. We show that two disk molecules confined in the cylinder domain experience a depletion force, induced by the polymer chains, which results in the formation of stacks of disks. This entropic interaction and the soft confinement provided by the matrix are both responsible for the structures that can be self-assembled, which include slanted or columnar stacks. In addition, we evidence the transmission of stresses between the different minority domains of the microphase, which results in the establishment of a long-ranged interaction between disk molecules embedded in different domains; this interaction is of the order of the microphase periodicity and may be exploited to direct assembly of disks at larger scales.

Authors:

Aragones, J. L. ^[1]; Alexander-Katz, A. ^[1]

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+ Show Author Affiliations

1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Publication Date:

Mon Aug 07 00:00:00 EDT 2017

Research Org.:

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Org.:

USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:

1535327

Alternate Identifier(s):

OSTI ID: 1374095

Grant/Contract Number:  

SC0010428

Resource Type:

Accepted Manuscript

Journal Name:

Journal of Chemical Physics

Additional Journal Information:

Journal Volume: 147; Journal Issue: 5; Journal ID: ISSN 0021-9606

Publisher:

American Institute of Physics (AIP)

Country of Publication:

United States

Language:

English

Subject:

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Physics