Micromechanical exfoliation of graphene on the atomistic scale‡

文献情報

出版日 2019-02-25

DOI 10.1039/C8CP07796G

インパクトファクター 3.676

著者

Robert C. Sinclair, James L. Suter, Peter V. Coveney

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要旨

Mechanical exfoliation techniques are widely used to create high quality graphene samples for analytical use. Increasingly, mechanical methods are used to create large quantities of graphene, yet there is surprisingly little molecular insight into the mechanisms involved. We study the exfoliation of graphene with sticky tape using molecular dynamics. This is made possible by using a recently developed molecular dynamics forcefield, GraFF, to represent graphene's dispersion interactions. For nano-sized flakes we observe two different mechanisms depending on the polymer-adhesive used. A peeling mechanism which mixes shearing and normal mode exfoliation promotes synthesis of graphene rather than many-layered graphite. Armed with this new chemical insight we discuss the experimental methods that could preferentially produce graphene by mechanical exfoliation. We also introduce a mathematical model describing the repeated exfoliation of graphite.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.