Transport studies of $$\hbox {CeO}_{2}$$ CeO 2 molecular device and adsorption behavior of CO on $$\hbox {CeO}_{2}$$ CeO 2 device: a first-principles investigation

Chandiramouli, R.; Nagarajan, V.

doi:10.1007/s10825-017-0956-0

Cited by 12 publications

(2 citation statements)

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“…The expansion of each term including transmittance and CP on the above equations (3.1) and (3.2) is clearly discussed in our previously reported work [1,30] If V b is set to zero voltage, the transmission energy at Fermi level T(E F ) provides the conductance G = G 0 T(E F ), where G 0 = (2e 2 )/h is the unit of quantum conductance [29,47]. The orbital delocalization along the stilbene molecular system directs to enhance the concentration of free electrons, where it is noticed on particular peak amplitudes P amp in the transmission spectrum of SMS device [48][49][50][51]. The conductance G is explored for various lengths of Au-electrodes.…”

Section: Transport Properties Of Sms Devicementioning

confidence: 99%

“…, where G 0 = (2e 2 )/h is the unit of quantum conductance [29,47]. The orbital delocalization along the stilbene molecular system directs to enhance the concentration of free electrons, where it is noticed on particular peak amplitudes P amp in the transmission spectrum of SMS device [48][49][50][51]. The conductance G is explored for various lengths of Au-electrodes.…”

Section: Transport Properties Of Sms Devicementioning

confidence: 99%

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Switching behaviour of stilbene molecular device: a first-principles study

Nagarajan¹,

Chandiramouli²

2018

Condens. Matter Phys.

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The switching behaviour of stilbene molecular system (SMS) device is investigated with the help of non-equilibrium Green's function (NEGF) approach using first principles calculation. The transmission spectrum of cisisomers confirmed that more electrons are transferred across the SMS-device using optical excitation by the spin of C=C bond by torsion angle (θ = 180 • ). The current-voltage characteristics show the lower magnitude of current for trans-stilbene and higher magnitude of current for cis-stilbene for an externally applied bias voltage. The outcome of the proposed work suggests that cis and trans-stilbene molecular device can be used as a switch.

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