Interaction between peptides and an MoS2 monolayer containing a nanopore: First-principles calculations

Trinh Le Huyen,Chi-Hsuan Lee,Shun-Jen Cheng,Chih-Kai Yang

Chinese Journal of Physics（2023）

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摘要

•The reaction between small peptide molecules and the MoS2 nanopore are explored.•Each of Serine and Glycylglycine plays the role of a passer in the system.•Aspartame, Carnosine, and Glutathione form stable compounds with the edge of hole.

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关键词

2-D MoS2 nanopore,Peptide molecules,Nudged-elastic band,Potential energy surface

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