Gap openings in graphene regarding interfacial interaction from substrates
Literature Information
Y. F. Zhu, Q. Q. Dai, W. T. Zheng, Q. Jiang
Based on the size-dependent cohesive energy formula for two-dimensional materials, we investigate the gap openings in graphene layers regarding distinct interfacial interaction from substrates. Depending on the interfacial physicochemical nature, the gap is opened weakly induced by the van der Waals interaction but readily by the chemical bonding. Relative to the former, in essence, the distinct opening behavior for the latter comes from the substantial change in atomic cohesive energy of graphene associated with the coordination imperfection. Our predictions agree with the available experimental or computer simulation results for graphene layers on layered BN or bulk truncated SiC. The present work is of benefit for the application of graphene in electronics.
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Themed Issue on Research and Practice in Chemical Education in Advanced Courses
DOI: 10.1039/B7RP90004J
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Source Journal
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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