How to fabricate perpendicularly oriented domains (PODs) of lamellar and cylinder phases in block copolymer thin films remains a major challenge. In this work, via a coarse-grained molecular dynamics simulation study, we report a solvent evaporation strategy starting from a mixed solution of A-b-B-type diblock copolymers (DBCs) and single-chain nanoparticles (SCNPs) with the same composition, which is capable of spontaneously generating PODs in drying DBC films induced by the interface segregation of SCNPs. The latter occurs at both the free surface and substrate and, consequently, neutralizes the interface selectivity of distinct blocks in DBCs, leading to spontaneous formation of PODs at both interfaces. The interface segregation of SCNPs is related to the weak solvophilicity of the internal cross-linker units. A mean-field theory calculation demonstrates that the increase in the chemical potential of SCNPs in the bulk region drives their interface segregation along with solvent evaporation. We believe that such a strategy can be useful in regulating the PODs of DBC films in practical applications.
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28 September 2023
Research Article|
September 22 2023
Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation Available to Purchase
Special Collection:
Polymer Nanoconfinement
Zhao Qian (骞钊)
;
Zhao Qian (骞钊)
(Conceptualization, Data curation, Formal analysis, Investigation, Writing – original draft, Writing – review & editing)
1
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University
, Changchun 130012, China
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Rui Shi (施睿)
;
Rui Shi (施睿)
(Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Software, Supervision)
1
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University
, Changchun 130012, China
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Zhong-Yuan Lu (吕中元)
;
Zhong-Yuan Lu (吕中元)
a)
(Conceptualization, Funding acquisition, Project administration, Resources, Supervision, Validation, Writing – review & editing)
1
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University
, Changchun 130012, China
2
Key Laboratory of Material Simulation Methods and Software of Ministry of Education
, Changchun 130012, China
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Hu-Jun Qian (钱虎军)
Hu-Jun Qian (钱虎军)
a)
(Conceptualization, Funding acquisition, Methodology, Project administration, Supervision, Writing – original draft, Writing – review & editing)
1
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University
, Changchun 130012, China
2
Key Laboratory of Material Simulation Methods and Software of Ministry of Education
, Changchun 130012, China
Search for other works by this author on:
1
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University
, Changchun 130012, China
2
Key Laboratory of Material Simulation Methods and Software of Ministry of Education
, Changchun 130012, China
J. Chem. Phys. 159, 124901 (2023)
Article history
Received:
July 03 2023
Accepted:
September 05 2023
Citation
Zhao Qian, Rui Shi, Zhong-Yuan Lu, Hu-Jun Qian; Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation. J. Chem. Phys. 28 September 2023; 159 (12): 124901. https://doi.org/10.1063/5.0166202
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