The electronic transport properties of B40 fullerenes with chalcogens as anchor atoms

Abstract

Fullerenes are the most popular molecules to use in applications related to molecular electronics because of their superconductive nature. These molecules show a diverse range of properties, including optical, electronic, and structural characteristics. In this work, we focused on the electronic transport properties of molecular devices consisting of the fullerene B or B with different anchor atoms between two gold electrodes in a two-probe configuration. The elements used as anchor atoms in the B molecules were oxygen, selenium, and sulfur, i.e., chalcogens. The current characteristics of these fullerene-based molecular devices were calculated and analyzed. The analysis highlighted the superior electrical conductivity of the pure B device compared to the devices based on its chalcogen-anchored variants. The conductivities of the molecular devices were ranked as follows: pure B > selenium-anchored > sulfur-anchored > oxygen-anchored B. It was also noted that the devices based on B and its chalcogen-anchored variants gave nonzero conductance values at zero bias. These results pave the way for the application of these molecules in future nanodevices utilizing extremely small bias voltages.

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

“…1) was designed intending to study the change in electronic transport properties both at equilibrium and non-equilibrium by increasing the length of the wire. While designing the molecular junction linkers are not used as pure B 40 molecular junction has shown excellent electronic properties without linker's and when linkers have used the conductance of the device is considerably decreased [22]. A comparative study of six different junctions has been investigated.…”

Transport Properties with Multiple Functions of Fe@C60‐GNR Single Molecule

“…[27][28][29][30][31][32] Zero-dimensional fullerenes are ideal candidate for constructing molecular devices because of their excellent physicochemical properties, such as superconductivity, high magnetism, and high-pressure resistance. [33][34][35][36][37][38][39] Since the discovery of C 60 in 1985 by applying laser technology for the evaporation of graphite, [40] tremendous advances have been made in the realm of fullerenes and related compounds. [41][42][43] Soon after, the first endohedral fullerene La@C 60 was detected, [44] pioneered a substantive leap in the science of this new family of compounds.…”

“…Zero‐dimensional fullerenes are ideal candidate for constructing molecular devices because of their excellent physicochemical properties, such as superconductivity, high magnetism, and high‐pressure resistance [33–39] . Since the discovery of C 60 in 1985 by applying laser technology for the evaporation of graphite, [40] tremendous advances have been made in the realm of fullerenes and related compounds [41–43] .…”

Comparative study of symmetrical and asymmetrical B40 molecular junctions

“…Kaur et. al utilized the chalcogen family elements with B 40 to investigate its electronic transport properties [11]. Maniei et.…”