Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics

Chandran, Suraj S; Wu, Yanze; Subotnik, Joseph E.

doi:10.1021/acs.jpca.2c06149

Cited by 4 publications

(2 citation statements)

References 35 publications

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“…It should be pointed out that the Berry force or Berry phase has already been proposed to work as an effective way to understand the CISS effect. Recently, Dr. Subotnik and collaborators put forward that Berry force produced by the electronic–nuclear dynamics in molecules may dramatically change the pathway section of the electrons with various spin angular momenta, resulting in a remarkable spin selectivity even as the SOC is very small. ,− Interestingly, our theoretical results also support that the Berry phase may play a crucial role in generating the PCISS currents in CHMs. However, the underlying mechanism for the Berry phase to generate the PCISS effect is much different from the one proposed by Dr. Subotnik et al The Berry phase in our work is tightly associated with the AB effect of an external magnetic flux or an effective magnetic field induced by SOC.…”

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confidence: 70%

Persistent Chirality-Induced Spin-Selectivity Effect in Circular Helix Molecules

Chen,

Wu,

2024

Nano Lett.

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The spin−orbit coupling (SOC), the dynamics of the nonequilibrium transport process, and the breaking of time-reversal and space-inversion symmetries have been regarded as key factors for the emergence of chirality-induced spin selectivity (CISS) and chiralitydependent spin currents in helix molecules. In this work, we demonstrated the generation of persistent CISS currents in various circular single-stranded DNAs and 3 10 -helix proteins for the first time, regardless of whether an external magnetic flux is applied or not. This new CISS effect presents only in equilibrium transport processes, distinct from the traditional CISS observed in nonequilibrium transport processes and linear helix molecules; we term it as the PCISS effect. Notably, PCISS manifests irrespective of whether the SOC is chirality-driven or stems from heavy-metal substrates, making it an efficient way to generate chirality-locked pure spin currents. Our research establishes a novel paradigm for examining the underlying physics of the CISS effect.

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confidence: 70%

Persistent Chirality-Induced Spin-Selectivity Effect in Circular Helix Molecules

Chen,

Wu,

2024

Nano Lett.

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“…[1][2][3][4] These systems may provide a versatile platform for exploring the molecular origins of the chirality induced spin selectivity (CISS) effect, [5][6][7][8] without the complications of interactions with electrodes, 3,[9][10][11][12] and it has also been suggested that chiral donor-acceptor systems could be exploited in various quantum information science applications. 1,13,14 Several theories have been proposed for the molecular CISS effect and how spin polarisation is generated in the formation of charge separated states, 7,8,[15][16][17] and a handful of experimental protocols have been proposed to test these theories. 2,5,8,15,18 Whilst most studies to date have focussed on the CISS effect in the formation of charge seperated states in donor-acceptor systems, it has also been suggested that CISS could play a role in the charge recombination of donor-acceptor systems.…”

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confidence: 99%

Spin selective charge recombination in chiral donor-bridge-acceptor triads

Fay¹,

Limmer²

2023

Preprint

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In this paper we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor-bridge-acceptor molecules, where the electron transfer is mediated by chirality and spin-orbit coupling. In general the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not in general selective for spin polarisation. We find that spin polarisation selectivity only arises in hopping mediated electron transfer. We describe how this effective spin-polarisation selectivity is a consequence of spin-polarisation generated transiently in the intermediate state. The recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on recombination dynamics and to destroy any long-lived spin polarisation. Although we only consider a simple donor-bridge-acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

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Spin selective charge recombination in chiral donor–bridge–acceptor triads

Fay

Limmer

2023

The Journal of Chemical Physics

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In this paper, we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor–bridge–acceptor molecules, where the electron transfer is mediated by chirality and spin–orbit coupling. In general, the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not, in general, selective for spin polarization. We find that spin polarization selectivity only arises in hopping-mediated electron transfer. We describe how this effective spin-polarization selectivity is a consequence of spin-polarization generated transiently in the intermediate state. The recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on the recombination dynamics and to destroy any long-lived spin polarization. Although we only consider a simple donor–bridge–acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

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Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer Dynamics

Cited by 4 publications

References 35 publications

Persistent Chirality-Induced Spin-Selectivity Effect in Circular Helix Molecules

Persistent Chirality-Induced Spin-Selectivity Effect in Circular Helix Molecules

Spin selective charge recombination in chiral donor-bridge-acceptor triads

Spin selective charge recombination in chiral donor–bridge–acceptor triads

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