What is it about?
Here, we investigated the tuning transport properties from six nanodevices based on molecular tunnel junctions from DNA fragments and carbyne electrodes via DFT/NEGF. Our results show that for DNA fragments HOMOs and LUMOs locate at the purine (A and G) and pyrimidine (T and C) bases, respectively. This is an important factor to develop nanodevices.
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Why is it important?
the influence of carbyne electrodes shows that molecular projected self-consistent hamiltonian (MPSH) states for HOMO (LUMO) locate DNA fragments (carbyne electrodes) presenting Zener diode and resonant tunnel diode (RTD) behavior as a current sensor for forward bias. A-G and T-C nanodevices operate at nA whereas A-G and T-C nucleoside or nucleotide at μA.
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This page is a summary of: Tuning transport properties in carbyne-DNA fragments-carbyne devices, Materials Letters, April 2023, Elsevier, DOI: 10.1016/j.matlet.2023.133925.
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