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- W4285196689 endingPage "86" @default.
- W4285196689 startingPage "61" @default.
- W4285196689 abstract "Graphene and its analogues offer a broad range of application opportunities for (opto)-electronics, sensing, catalysis, phase separation, energy conversion and storage, etc. Engineering graphene properties often relies on its controllable functionalization, defect formation and patterning, and reactive gas etching. In this chapter, we survey the dynamics of graphene using classical and quantum-classical dynamics methods. We discuss the reactivity, scattering, and transmission of atomic and ionic species including Ar cluster ion, H/D, and H+/D+ on graphene flakes of various sizes, focusing on the atomic-scale motion and energy dissipation pathways involved in forming and breaking covalent bonding. Discussions on the nuclear quantum effects of light species, the effects of isotopic substitution, and the methodologies for such modeling are also included." @default.
- W4285196689 created "2022-07-14" @default.
- W4285196689 creator A5018769135 @default.
- W4285196689 creator A5039051768 @default.
- W4285196689 creator A5042083426 @default.
- W4285196689 creator A5078743875 @default.
- W4285196689 date "2022-01-01" @default.
- W4285196689 modified "2023-10-17" @default.
- W4285196689 title "From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue" @default.
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