Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics

Ehrens J, Gayk F, Vorndamme P, Heitmann T, Biere N, Anselmetti D, Zhang X, Gölzhäuser A, Schnack J (2021)
Physical Review B 103(11): 115416.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
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.
Erscheinungsjahr
2021
Zeitschriftentitel
Physical Review B
Band
103
Ausgabe
11
Art.-Nr.
115416
ISSN
2469-9950
eISSN
2469-9969
Page URI
https://pub.uni-bielefeld.de/record/2953820

Zitieren

Ehrens J, Gayk F, Vorndamme P, et al. Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics. Physical Review B. 2021;103(11): 115416.
Ehrens, J., Gayk, F., Vorndamme, P., Heitmann, T., Biere, N., Anselmetti, D., Zhang, X., et al. (2021). Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics. Physical Review B, 103(11), 115416. https://doi.org/10.1103/PhysRevB.103.115416
Ehrens, J., Gayk, F., Vorndamme, P., Heitmann, T., Biere, N., Anselmetti, D., Zhang, X., Gölzhäuser, A., and Schnack, J. (2021). Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics. Physical Review B 103:115416.
Ehrens, J., et al., 2021. Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics. Physical Review B, 103(11): 115416.
J. Ehrens, et al., “Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics”, Physical Review B, vol. 103, 2021, : 115416.
Ehrens, J., Gayk, F., Vorndamme, P., Heitmann, T., Biere, N., Anselmetti, D., Zhang, X., Gölzhäuser, A., Schnack, J.: Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics. Physical Review B. 103, : 115416 (2021).
Ehrens, Julian, Gayk, Florian, Vorndamme, Patrick, Heitmann, Tjark, Biere, Niklas, Anselmetti, Dario, Zhang, Xianghui, Gölzhäuser, Armin, and Schnack, Jürgen. “Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics”. Physical Review B 103.11 (2021): 115416.

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