Selected papers

Mechanical tuning of conductance and thermopower in helicene molecular junctions
Mechanical tuning of conductance and thermopower in helicene molecular junctions
Nanoscale 7 (19): 8793-8802 (2015)
Helicenes are inherently chiral polyaromatic molecules composed of all-ortho fused benzene rings possessing a spring-like structure. Here, using a combination of density functional theory and tight-binding calculations, it is demonstrated that controlling the length of the helicene molecule by mechanically stretching or compressing the molecular junction can dramatically change the electronic properties of the helicene, leading to a tunable switching behavior of the conductance and thermopower of the junction with on/off ratios of several orders of magnitude. Furthermore, control over the helicene length and number of rings is shown to lead to more than an order of magnitude increase in the thermopower and thermoelectric figure-of-merit over typical molecular junctions, presenting new possibilities of making efficient thermoelectric molecular devices. The physical origin of the strong dependence of the transport properties of the junction is investigated, and found to be related to a…

Latest publications

Helicene-based π-conjugated macrocycles: their synthesis, properties, chirality and self-assembly into molecular stripes on a graphite surface
Nanoscale 15 (4): 1542-1553 (2023)
Push–pull amino-nitro helicenes: synthesis, (chir)optical properties and self-assembly into thin films
Chemical Communications 58 (91): 12732–12735 (2022)
Cycloiridated Helicenes as Chiral Catalysts in the Asymmetric Transfer Hydrogenation of Imines
ACS Catalysis 12 (17): 10793–10800 (2022)
Nonaqueous capillary electrophoresis and quantum chemical calculations applied to investigation of acid–base and electromigration properties of azahelicenes
Electrophoresis 43 (5-6): 696–707 (2022)