Building large-scale unimolecular scaffolding for electronic devices

Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction

“…The theoretical prediction of accurate dipole moments using computational tools can be important for identifying optimal oriented electric fields for electrostatic field control. Such reactions have already been studied in molecular junctions but are currently limited to single-molecule experiments; however, the development of large-area molecular junctions , offers promise for industrial-scale electrostatic catalysis.…”

High Seebeck coefficient from isolated oligo-phenyl arrays on single layered graphene via stepwise assembly

“…In this study, it was shaped into a cone-shaped tip, and the tip retained its shape due to the formation of a ∼0.7 nm native oxide outer shell (GaOx) upon contact with air. 49,50 It has been proved that this type of tip can contact non-destructively with SAMs4, 8–52 and form Cu/Gr/SAMs/GaOx/EGaIn junction.…”

“…42 Cea et al described a layer-by-layer (LBL) approach to generate well-separated arrays of molecular backbones using zinc-centred porphyrin footpad and amine anchored molecular wire on gold substrate, which minimized the intermolecular interactions by the large intermolecular distance. 43 In this study, we employed a similar approach to fabricate well-spaced arrays of oligo-phenyl wires on a single-layered (SL) graphene substrate. Firstly, zinc tetraphenyl porphyrin (ZnTPP, molecule 4 in Fig.…”

Robust large area molecular junctions based on transparent and flexible electrodes

“…Although single-molecule electrode|molecule| electrode junctions have proven to be remarkably versatile research tools, [1][2][3][4][5][6][7][8][9] and led to many proposals for applications beyond mimicry of conventional electronic components, 10 the translation of molecular electronic science to a practical molecular electronic technology arguably requires junctions in which monolayer assemblies are reliably contacted between larger-area electrodes to better enable integration with existing technologies and interface with the macroscopic world. [11][12][13][14][15][16] The fabrication of these large-area devices typically involves the deposition of a molecular high-quality monolayer by selfassembly, [17][18][19][20] Langmuir-Blodgett, [21][22][23][24][25] electrografting, [26][27][28][29][30] etc. onto a bottom electrode, usually formed from a conductive material deposited onto a rigid substrate and subsequent deposition of a top electrode.…”