To elucidate the conductive behaviour of transition metals (Mn, Fe, Co, Ni) doped C&lt;inf&gt;20&lt;/inf&gt; molecular device

Kaur, Noorinder; Kaur, Rupendeep

doi:10.1109/icccnt.2017.8203968

Cited by 1 publication

(2 citation statements)

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“…On the other hand, sharper peaks signify poor coupling and hence reduced transmission. In I-V characteristics, the position of the Fermi level is considered to be an important factor, as it helps in identifying the conductive characteristics of elements [25]. In the transmission spectra at zero bias, the Fermi level is considered to be at zero E F = 0.…”

Section: Wwwmrsorg/jmrmentioning

confidence: 99%

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Investigation of transport behavior in borospherene-based molecular wire for rectification applications

Vohra

Kaur

et al. 2021

Journal of Materials Research

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The transport properties of molecular wire comprising of B40 fullerene are investigated by employing density functional theory (DFT) and non-equilibrium green’s function (NEGF) methodology. The quantum transport is evaluated by calculating the density of states, transmission spectra at various bias voltages, molecular energy spectra, HOMO-LUMO gap, current–voltage curve, and transmission pathways. In context to its properties, results show that by increasing the length of molecular wire, the device exhibits rectification ratio and prominent NDR behavior. I–V curve scrutinizes that as the length of wire is increased the curve becomes non-linear. This non-linear behavior is more prominent in the case when the length of wire is increased up to six fullerene cages significant rectification ratio (R.R) and negative differential resistance (NDR) comes into the picture. The excellent negative differential resistance ensures that a device with at least six molecular wires can be used as a tunnel diode. Graphic abstract

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Section: Wwwmrsorg/jmrmentioning

confidence: 99%

“…Moreover, by varying the bias voltages peaks don't move much from their position. Also as the bias is increased the states that were engaged in conduction don't change [25].…”

Section: Wwwmrsorg/jmrmentioning

confidence: 99%

Investigation of transport behavior in borospherene-based molecular wire for rectification applications

Vohra

Kaur

et al. 2021

Journal of Materials Research

View full text Add to dashboard Cite

show abstract

To elucidate the conductive behaviour of transition metals (Mn, Fe, Co, Ni) doped C<inf>20</inf> molecular device

Cited by 1 publication

References 18 publications

Investigation of transport behavior in borospherene-based molecular wire for rectification applications

Investigation of transport behavior in borospherene-based molecular wire for rectification applications

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