Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics
| Autor: | Tjark Heitmann, Dario Anselmetti, Julian Ehrens, Niklas Biere, Xianghui Zhang, Florian Gayk, Armin Gölzhäuser, Patrick Vorndamme, Jürgen Schnack |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Condensed Matter - Materials Science
Materials science Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Modulus chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Molecular dynamics Membrane chemistry Chemical physics 0103 physical sciences Molecule 010306 general physics 0210 nano-technology Carbon |
| Popis: | Carbon nanomembranes made from aromatic precursor molecules are free standing 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 first 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. 12 pages, 18 figures |
| Databáze: | OpenAIRE |
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