A theoretical study of wrinkle propagation in graphene with flower-like grain boundaries
Literature Information
This study investigated dynamic surface wrinkle propagation across a series of flower-like rotational grain boundaries (GBs) in graphene using theoretical solutions and atomistic simulations. It was found that there was significantly less out-of-plane displacement of dynamic wrinkles when curvature of rotational GBs was reduced, which can be explained by a defect shielding effect of flower-like GBs. Potential energy evolved via different modes for pristine graphene and graphene with various GBs. With external excitation, the distinctly different patterns of wrinkle propagation in graphene with various GBs demonstrated how dynamic wrinkling can reveal defects. These results can provide a theoretical basis for guiding the design and implementation of graphene-based nano-mechanical devices such as protectors and detectors.
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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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