Ordered nanostructures self-assembled from block copolymer tethered nanoparticles.
Combining the self-consistent field theory (SCFT) and the density functional theory (DFT), we investigated the self-assembly behavior of AB diblock copolymer tethered single spherical particle P (ABP molecules). Two cases were studied: one is where the particles are chemically neutral to both A and B blocks, and the other is where the particles are unfavorable to neither of the two blocks. For neutral particles, the ABP molecules self-assemble to typical equilibrium microstructures, such as lamellae and cylinders. The P particles are localized in B block domains, and the size of particles can influence the phase behavior. For unfavorable particles, the ABP molecules microphase separate to form distinct ordered structures. Hierarchical structures, such as cylinders with cylinders at the interfaces and lamellae with cylinders at the interfaces, were observed. These resulting hierarchical structures are mainly determined by two parameters: A block fraction f(A) and particle size R(P). On the basis of the calculation results, phase diagrams were constructed.
Zhu
Xiaomeng
X
Shanghai Key Laboratory of Advanced Polymeric Materials, Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China.
Wang
Liquan
L
Lin
Jiaping
J
Zhang
Liangshun
L
D008958:Models, Molecular; D008968:Molecular Conformation; D053758:Nanoparticles / Q000737:chemistry*; D010316:Particle Size; D011108:Polymers / Q000737:chemistry*; D011789:Quantum Theory
D011108:Polymers