Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics
Autor(en): | Ehrens, Julian Gayk, Florian Vorndamme, Patrick Heitmann, Tjark Biere, Niklas Anselmetti, Dario Zhang, Xianghui Goelzhaeuser, Armin Schnack, Juergen |
Stichwörter: | Materials Science; Materials Science, Multidisciplinary; Physics; Physics, Applied; Physics, Condensed Matter | Erscheinungsdatum: | 2021 | Herausgeber: | AMER PHYSICAL SOC | Journal: | PHYSICAL REVIEW B | Volumen: | 103 | Ausgabe: | 11 | Zusammenfassung: | Carbon nanomembranes made from aromatic precursor molecules are freestanding nanometer-thin materials of macroscopic lateral dimensions. Although produced in various versions for about two decades, not much is known about their internal structure. Here we present a systematic theoretical attempt to model the formation, structure, and mechanical properties of carbon nanomembranes using classical molecular dynamics simulations. We find theoretical production scenarios under which stable membranes form. They possess pores as experimentally observed. Their Young's modulus, however, is systematically larger than experimentally determined. |
ISSN: | 24699950 | DOI: | 10.1103/PhysRevB.103.115416 |
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