Self-assembly morphology transition mechanism of similar amphiphilic molecules
文献信息
Guohui Li
Molecular self-assembly is a powerful synthesis method for nanomaterials. Promoting the development of self-assembly is not only conducive to the efficient preparation of nanomaterials but also promotes progress in other research fields. Therefore, it is necessary to enhance the advancement of molecular self-assembly, and the key is to deepen the understanding of the correlation between molecular characteristics and self-assembly morphologies. However, some similar amphipihlic molecules self-assemble into assemblies with significant morphology difference, which is challenging to clear the mechanism for experimenters. In this work, we explore the microscopic mechanism of six similar molecules by MD simulations, and the influences of molecular conformation, atomic groups, and polycyclic aromatic hydrocarbons on morphologies are discussed in detail. Our findings enrich the design principles of amphiphilic molecules for self-assembly, which promotes the modular design of molecular self-assembly.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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