Pristine and vacancy defective boron nitride nanotubes absorb deep eutectic solvents

Mehdi Shakourian-Fard,Hamid Reza Ghenaatian,Ganesh Kamath,Farouq S. Mjalli,John F. Trant

Chemical Physics Letters（2023）

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摘要

•Boron vacancy defects lead to higher adsorption of DESs on the nanotubes.•DESs adsorb onto the nanotubes through van der Waals (vdW) interactions.•The adsorption leads to charge transfer from the DESs to the nanotubes.•DES adsorption has the greatest effect on the optical response of BNNT-Bvac.•Electron excitation in the complexes is mainly local excitation on the nanotubes.

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关键词

Boron nitride nanotube,Defective boron nitride nanotube,Deep eutectic solvent (DES),DFT,Transition density matrix

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