[PDF][PDF] Techniques and Influencing Factors for Single Molecule Electronic Conductance Measurements

P Cheng, Y Li, S Chang - Acta Phys.-Chim. Sin, 2020 - whxb.pku.edu.cn
Molecular electronics is an important field for the application of nanotechnologies with an
ultimate goal of building functional devices using single molecules or molecular arrays to …

Global and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theory

D Yu, T Stuyver, C Rong, M Alonso, T Lu… - Physical Chemistry …, 2019 - pubs.rsc.org
In this work, we report a systematic study on the global and local aromaticity of acenes using
a series of model structures from 2-acene to 11-acene. A recently developed ansatz, an …

Single‐molecule conductance of 1, 4‐azaborine derivatives as models of BN‐doped PAHs

L Palomino‐Ruiz… - Angewandte Chemie …, 2021 - Wiley Online Library
The single‐molecule conductance of a series of BN‐acene‐like derivatives has been
measured by using scanning tunneling break‐junction techniques. A strategic design of the …

Aromaticity–photovoltaic property relationship of triphenylamine-based D-π-A dyes: leads from DFT calculations

R Venkatraman, SVK Panneer… - The Journal of …, 2020 - ACS Publications
D-π-A-based dyes find a wide range of applications in molecular electronics and
photovoltaics in general and dye-sensitized solar cells (DSSC) in particular. We speculated …

On-surface synthesis of non-benzenoid conjugated polymers by selective atomic rearrangement of ethynylarenes

A Jiménez-Martín, F Villalobos, B Mallada… - Chemical …, 2023 - pubs.rsc.org
Here, we report a new on-surface synthetic strategy to precisely introduce five-membered
units into conjugated polymers from specifically designed precursor molecules that give rise …

The effect of spin polarization on the electron transport of molecular wires with diradical character

N Ramos-Berdullas, S Gil-Guerrero… - Physical Chemistry …, 2021 - pubs.rsc.org
Some of the most promising materials for application in molecular electronics and
spintronics are based on diradical chains. Herein, the proposed relation between increasing …

Anti-ohmic single molecule electron transport: is it feasible?

S Gil-Guerrero, N Ramos-Berdullas, ÁM Pendás… - Nanoscale …, 2019 - pubs.rsc.org
Hitherto, only molecular wires with a regular ohmic behavior in which the electric
conductance decreases with the wire length have been synthesized. Implementation of …

Theoretical analysis of expanded porphyrins: Aromaticity, stability, and optoelectronic properties

W Wei, ZX Zhao, BH Xia, W Li - Frontiers in Chemistry, 2022 - frontiersin.org
Expanded porphyrin systems are capable of binding a variety of substrates due to their
increased cavity size and aromatic nature, holding important applications as magnetic …

Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation

S Gil-Guerrero, Á Peña-Gallego… - Nano …, 2019 - ACS Publications
An extraordinary new family of molecular junctions, inaccurately referred to as “anti-Ohmic”
wires in the recent literature, has been proposed based on theoretical predictions. The …

Evaluation of Charge and Energy Storage in Molecular Nanocapacitors

SM Azami, M Kheirmand - The Journal of Physical Chemistry A, 2023 - ACS Publications
A model is presented herein for the evaluation of stored charge and energy in molecular-
scale capacitors composed of parallel nanosheets. In this model, the nanocapacitor is …