POS4-0922
Molecular Origin of Anisotropic Growth of 2D Conducting Polymer Nanosheets
Topic
S4. Colloids, Interfaces, and Molecular Assemblies for Functional Soft Materials
When and Where
Sep 29, 2026
08:30 - 09:30
Room 301 (Grand Ballroom)
Session Chairs
Hae Jung SON
Boseok KANG
Presenter(s)
Sangwon Bae (Seoul National University)
Co-Author(s)
Abstract
Crystallization-driven self-assembly (CDSA) of conjugated homopolymers enables the formation of semiconducting two-dimensional nanosheets with well-defined crystallographic growth directions. Previous experimental studies have shown that the lateral growth direction of these nanosheets can be modulated by tuning the co-solvent composition, and that the resulting crystallographic axis preference is highly sensitive to the side-chain identity. However, the molecular origin of this side-chain dependent growth anisotropy remains unresolved. Here, we use atomistic molecular dynamics (MD) simulations to elucidate how side-chain architecture governs directional growth preferences in conducting polymer nanosheets. We compare tert-butyl and triisopropylsilyl substituted polymers, which exhibit opposite directional growth behavior under analogous CDSA conditions. By evaluating both the intrinsic properties of side-chain motifs and their structural arrangement within the crystalline assembly, we show that growth direction selectivity arises from the interplay between local substituent characteristics and crystal level organization. This framework indicates that side chains regulate anisotropic CDSA not merely through monomer-scale steric effects, but also by defining the structural environment of the growing polymer crystal.
