Spin-selectivity effect of G-quadruplex DNA molecules.

Lei Deng, Irfan Hussain Bhat, Ai-Min Guo

The Journal of chemical physics 2023 Jun 28

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Chirality-induced spin selectivity has been attracting extensive interest in recent years and is demonstrated in a variety of chiral molecules, all of which arise from inherent molecular chirality. Here, we first propose a theoretical model to study the spin-dependent electron transport along guanine-quadruplex (G4) DNA molecules, connected to two nonmagnetic electrodes, by considering the molecule-electrode contact and weak spin-orbit coupling. Our results indicate that the G4-DNA molecular junctions exhibit pronounced spin-selectivity effect, and the asymmetric contact-induced external chirality, instead of the inherent molecular chirality, dominates their spin filtration efficiency. Furthermore, the spin-selectivity effect is robust against the disorder and hold in a wide range of model parameters. These results could be checked by charge transport measurements and provide an alternative way to improve the spin-selectivity effect of chiral nanodevices. © 2023 Author(s). Published under an exclusive license by AIP Publishing.

Citation

Lei Deng, Irfan Hussain Bhat, Ai-Min Guo. Spin-selectivity effect of G-quadruplex DNA molecules. The Journal of chemical physics. 2023 Jun 28;158(24)