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Regensburg 2019 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 29: Two-dimensional Materials II: graphene (joint session HL/CPP)

CPP 29.6: Vortrag

Dienstag, 2. April 2019, 15:15–15:30, H36

Bio-compatible graphene exfoliation assisted by flavin mononucleotide sodium: a molecular dynamics study — •Shirong Huang1, Alexander Croy1, Viktor Bezugly1,2, and Gianaurelio Cuniberti1,31Institute for Materials Science and Max Bergmann Center for Biomaterials, Technische Universität Dresden, 01062 Dresden, Germany — 2Life Science Inkubator Sachsen GmbH & Co. KG, Tatzberg 47, 01307 Dresden, Germany — 3Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden, German

Flavin mononucleotide sodium (FMNS) was reported as a highly efficient bio-dispersant for the exfoliation of aqueous dispersions of defect-free, few-layer graphene flakes. Most importantly, FMNS is innocuous and environment friendly and can facilitate bio-medical applications of graphene. Although there is some experimental work on graphene exfoliation assisted by FMNS, it is not clear how FMNS molecules behave on the graphene flake. Here, we clarify the interaction between FMNS and graphene flakes via all-atom molecular dynamic simulations. The exfoliation mechanism of FMNS on the graphene flake is investigated by the potential of mean force (PMF) of pairs of graphene flakes coated with FMNS. This work provides a basis for understanding of graphene exfoliation assisted by FMNS-like surfactants and paves a path to design highly efficient dispersants for defect-free, few layer graphene.

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