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Complex microstructures of ABC triblock copolymer thin films directed by polymer brushes based on self-consistent field theory.

Jiang Z, Xu C, Qiu YD, Wang X, Zhou D, Xue G - Nanoscale Res Lett (2014)

Bottom Line: By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases.Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 (ll) -HFs), perpendicular lamellar phase with cylinders at the interface (LAM(⊥)-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2 (⊥)-RI).A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Polymer Science and Engineering, Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry, Nanjing National Laboratory of Microstructures, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.

ABSTRACT
The morphology and the phase diagram of ABC triblock copolymer thin film directed by polymer brushes are investigated by the self-consistent field theory in three dimensions. The polymer brushes coated on the substrate can be used as a good soft template to tailor the morphology of the block copolymer thin films compared with those on the hard substrates. The polymer brush is identical with the middle block B. By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases. Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 (ll) -HFs), perpendicular lamellar phase with cylinders at the interface (LAM(⊥)-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2 (⊥)-RI). A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks. The phase diagram of ABC triblock copolymer thin film wetted between the polymer brush-coated surfaces is very useful in designing the directed pattern of ABC triblock copolymer thin film.

No MeSH data available.


Related in: MedlinePlus

Morphologies of the ABC block copolymer thin film with Lz = 40a. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to A, B, and C, respectively. For some morphologies, the 3D isosurface graphs are also given for a clear view beside the morphologies. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. (a) Two-color parallel lamellar phase (LAM2ll), (b) two-color perpendicular lamellar phase (LAM2⊥), (c) three-color parallel lamellar phase (LAM3ll), (d) three-color perpendicular lamellar phase (LAM3⊥), (e) parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), (f) core-shell hexagonally packed spherical phase (CSHS), (g) two-color parallel cylindrical phase (C2ll), (h) core-shell parallel cylindrical phase (CSC3ll), (i) perpendicular hexagonally packed cylindrical phase with rings at the interface (C2⊥-RI), (j) perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), (k) parallel lamellar phase with tetragonal pores (LAM3ll-TF), (l) perpendicular hexagonally packed cylindrical phase (C2⊥), (m) sphere-cylinder transition phase (S-C), (n) hexagonal pores (HF), and (o) irregular lamellar phase (LAMi). Morphologies in (n) and (o) are enlarged by two times along x- and y-directions.
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Figure 1: Morphologies of the ABC block copolymer thin film with Lz = 40a. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to A, B, and C, respectively. For some morphologies, the 3D isosurface graphs are also given for a clear view beside the morphologies. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. (a) Two-color parallel lamellar phase (LAM2ll), (b) two-color perpendicular lamellar phase (LAM2⊥), (c) three-color parallel lamellar phase (LAM3ll), (d) three-color perpendicular lamellar phase (LAM3⊥), (e) parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), (f) core-shell hexagonally packed spherical phase (CSHS), (g) two-color parallel cylindrical phase (C2ll), (h) core-shell parallel cylindrical phase (CSC3ll), (i) perpendicular hexagonally packed cylindrical phase with rings at the interface (C2⊥-RI), (j) perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), (k) parallel lamellar phase with tetragonal pores (LAM3ll-TF), (l) perpendicular hexagonally packed cylindrical phase (C2⊥), (m) sphere-cylinder transition phase (S-C), (n) hexagonal pores (HF), and (o) irregular lamellar phase (LAMi). Morphologies in (n) and (o) are enlarged by two times along x- and y-directions.

Mentions: Figure 1 presents the morphologies of the ABC triblock copolymer thin film by varying the compositions of the block copolymer. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to blocks A, B, and C, respectively. The final color plotted at each point is the mixture of three colors, in which the concentration of each color is proportional to the local volume fraction of an individual block. The 3D morphology can only give the three faces (xy, yz, xz) of the ABC triblock copolymer thin film. For some morphologies, the 3D isosurface graphs are also given for a clear view. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. In these 3D isosurface graphs, some only give one or two components. Here, we do not show the morphologies of the polymer brushes in order to clearly see the morphologies of the block copolymer. There are at least 15 stable morphologies found: two-color parallel lamellar phase (LAM2ll), two-color perpendicular lamellar phase (LAM2⊥), three-color parallel lamellar phase (LAM3ll), three-color perpendicular lamellar phase (LAM3⊥), parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), two-color parallel cylindrical phase (C2ll), core-shell hexagonally packed spherical phase (CSHS), core-shell parallel cylindrical phase (CSC3ll), perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), perpendicular hexagonally packed cylinders phase with rings at the interface (C2⊥-RI), parallel lamellar phase with tetragonal pores (LAM3ll-TF), perpendicular hexagonally packed cylindrical phase (C2⊥), sphere-cylinder transition phase (S-C), hexagonal pores (HF), and irregular lamellar phase (LAMi). In these morphologies, there are some interesting structures, such as LAM3ll-HFs, LAM⊥-CI, LAM3ll-TF, and HF. HF phase is also experimentally observed[60], which is very useful; for example, the perforated lamella can serve as a lithographic mask. There are two irregular phases, sphere-cylinder transition phase (S-C) and irregular lamellar phase (LAMi). Due to the composition and the surface interaction competition, it is difficult to form the regular and stable phase. In fact, the parallel lamellar phases have three different arrangement styles near the brush. Because the brushes are identical to the middle block B, the block B should be near the brushes. But it is not always the case due to entropic effect. So, the blocks A, B, or C can be adjacent to the brushes. So in the following phase diagrams, we discern the three different arrangement styles of the parallel lamellar phases. When the block B is major in the block copolymer, the parallel lamellar phase with block B adjacent to brush layer is stable. When the block B is minor, the parallel lamellar phase with block A or B adjacent to brush layer is stable.


Complex microstructures of ABC triblock copolymer thin films directed by polymer brushes based on self-consistent field theory.

Jiang Z, Xu C, Qiu YD, Wang X, Zhou D, Xue G - Nanoscale Res Lett (2014)

Morphologies of the ABC block copolymer thin film with Lz = 40a. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to A, B, and C, respectively. For some morphologies, the 3D isosurface graphs are also given for a clear view beside the morphologies. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. (a) Two-color parallel lamellar phase (LAM2ll), (b) two-color perpendicular lamellar phase (LAM2⊥), (c) three-color parallel lamellar phase (LAM3ll), (d) three-color perpendicular lamellar phase (LAM3⊥), (e) parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), (f) core-shell hexagonally packed spherical phase (CSHS), (g) two-color parallel cylindrical phase (C2ll), (h) core-shell parallel cylindrical phase (CSC3ll), (i) perpendicular hexagonally packed cylindrical phase with rings at the interface (C2⊥-RI), (j) perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), (k) parallel lamellar phase with tetragonal pores (LAM3ll-TF), (l) perpendicular hexagonally packed cylindrical phase (C2⊥), (m) sphere-cylinder transition phase (S-C), (n) hexagonal pores (HF), and (o) irregular lamellar phase (LAMi). Morphologies in (n) and (o) are enlarged by two times along x- and y-directions.
© Copyright Policy - open-access
Related In: Results  -  Collection

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Show All Figures
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Figure 1: Morphologies of the ABC block copolymer thin film with Lz = 40a. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to A, B, and C, respectively. For some morphologies, the 3D isosurface graphs are also given for a clear view beside the morphologies. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. (a) Two-color parallel lamellar phase (LAM2ll), (b) two-color perpendicular lamellar phase (LAM2⊥), (c) three-color parallel lamellar phase (LAM3ll), (d) three-color perpendicular lamellar phase (LAM3⊥), (e) parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), (f) core-shell hexagonally packed spherical phase (CSHS), (g) two-color parallel cylindrical phase (C2ll), (h) core-shell parallel cylindrical phase (CSC3ll), (i) perpendicular hexagonally packed cylindrical phase with rings at the interface (C2⊥-RI), (j) perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), (k) parallel lamellar phase with tetragonal pores (LAM3ll-TF), (l) perpendicular hexagonally packed cylindrical phase (C2⊥), (m) sphere-cylinder transition phase (S-C), (n) hexagonal pores (HF), and (o) irregular lamellar phase (LAMi). Morphologies in (n) and (o) are enlarged by two times along x- and y-directions.
Mentions: Figure 1 presents the morphologies of the ABC triblock copolymer thin film by varying the compositions of the block copolymer. The microphase patterns, displayed in the form of density, are the red, green, and blue, assigned to blocks A, B, and C, respectively. The final color plotted at each point is the mixture of three colors, in which the concentration of each color is proportional to the local volume fraction of an individual block. The 3D morphology can only give the three faces (xy, yz, xz) of the ABC triblock copolymer thin film. For some morphologies, the 3D isosurface graphs are also given for a clear view. The red, green, and blue colors in isosurface graphs are assigned to blocks A, B, and C for a good correspondence, respectively. In these 3D isosurface graphs, some only give one or two components. Here, we do not show the morphologies of the polymer brushes in order to clearly see the morphologies of the block copolymer. There are at least 15 stable morphologies found: two-color parallel lamellar phase (LAM2ll), two-color perpendicular lamellar phase (LAM2⊥), three-color parallel lamellar phase (LAM3ll), three-color perpendicular lamellar phase (LAM3⊥), parallel lamellar phase with hexagonally packed pores at surfaces (LAM3ll-HFs), two-color parallel cylindrical phase (C2ll), core-shell hexagonally packed spherical phase (CSHS), core-shell parallel cylindrical phase (CSC3ll), perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), perpendicular hexagonally packed cylinders phase with rings at the interface (C2⊥-RI), parallel lamellar phase with tetragonal pores (LAM3ll-TF), perpendicular hexagonally packed cylindrical phase (C2⊥), sphere-cylinder transition phase (S-C), hexagonal pores (HF), and irregular lamellar phase (LAMi). In these morphologies, there are some interesting structures, such as LAM3ll-HFs, LAM⊥-CI, LAM3ll-TF, and HF. HF phase is also experimentally observed[60], which is very useful; for example, the perforated lamella can serve as a lithographic mask. There are two irregular phases, sphere-cylinder transition phase (S-C) and irregular lamellar phase (LAMi). Due to the composition and the surface interaction competition, it is difficult to form the regular and stable phase. In fact, the parallel lamellar phases have three different arrangement styles near the brush. Because the brushes are identical to the middle block B, the block B should be near the brushes. But it is not always the case due to entropic effect. So, the blocks A, B, or C can be adjacent to the brushes. So in the following phase diagrams, we discern the three different arrangement styles of the parallel lamellar phases. When the block B is major in the block copolymer, the parallel lamellar phase with block B adjacent to brush layer is stable. When the block B is minor, the parallel lamellar phase with block A or B adjacent to brush layer is stable.

Bottom Line: By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases.Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 (ll) -HFs), perpendicular lamellar phase with cylinders at the interface (LAM(⊥)-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2 (⊥)-RI).A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Polymer Science and Engineering, Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry, Nanjing National Laboratory of Microstructures, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.

ABSTRACT
The morphology and the phase diagram of ABC triblock copolymer thin film directed by polymer brushes are investigated by the self-consistent field theory in three dimensions. The polymer brushes coated on the substrate can be used as a good soft template to tailor the morphology of the block copolymer thin films compared with those on the hard substrates. The polymer brush is identical with the middle block B. By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases. Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 (ll) -HFs), perpendicular lamellar phase with cylinders at the interface (LAM(⊥)-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2 (⊥)-RI). A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks. The phase diagram of ABC triblock copolymer thin film wetted between the polymer brush-coated surfaces is very useful in designing the directed pattern of ABC triblock copolymer thin film.

No MeSH data available.


Related in: MedlinePlus