We have located links that may give you full text access.
Effects of acceptor doping on a metalorganic switch: DFT vs. model analysis.
Physical Chemistry Chemical Physics : PCCP 2018 May 17
We propose a molecular switch based on copper dioxolene molecules with valence tautomeric properties. We study the system using density functional theory and a model Hamiltonian that can properly account for electronic correlations in these complex molecular systems. We compute the transport properties of the junction with a Cu-dioxolene unit sandwiched between gold electrodes and analyze its dependence on the valence tautomeric state of the molecule. We also study the effects of doping with ICl2 acceptor molecules on the magnetic and electronic features of the device. We find that in the absence of dopants, the Cu-dioxolene unit is weakly charged in a S = 1/2 spin state. However, the acceptors increase the charge state of the molecule and make possible a transition between the high-spin (S = 1) triplet and the low-spin (S = 0) singlet. The I-V dependence shows a manifestation of spin filtering and a voltage-induced multistable behavior that can have several applications in nanoscale electronic devices.
Full text links
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app