Chemical Self-Assembly Strategies for Designing Molecular Electronic Circuits: Demonstration of Concept
| Autor: | Alejandro Boscoboinik, Sergio Javier Manzi, Wilfred T. Tysoe, Dustin Olson |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
inorganic chemicals
Materials science Isocyanide Chemical Self-Assembly 02 engineering and technology Molecular Electronic Circuits 010402 general chemistry 01 natural sciences Oligomer chemistry.chemical_compound Physical and Theoretical Chemistry Electronic circuit nanoelectrodes Aryl Otras Ciencias Naturales y Exactas 021001 nanoscience & nanotechnology 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy chemistry Chemical physics visual_art Electronic component Electrode visual_art.visual_art_medium Density functional theory Self-assembly MONTE CARLO SIMULATIONS 0210 nano-technology CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | The Journal of Physical Chemistry C. 123:10398-10405 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.9b00666 |
| Popis: | The design of molecular electronic circuits will require the development of strategies for making controlled interconnections between nanoelectrodes. The simplest example of a molecular electronic component consists of aryl rings with para-anchoring functionalities, commonly isocyanide or thiol groups. In particular, 1,4-phenylene diisocyanobenzene (1,4-PDI) has been shown to form conductive one-dimensional, oligomeric chains that are composed of alternating gold and 1,4-PDI units in which a gold adatom is linked to two trans isocyanide groups. Density functional theory (DFT) calculations of the oligomerization pathway reveal that growth occurs via a vertical, mobile Au-PDI adatom complex that forms by binding to the gold substrate and oligomerizes by the gold adatom attaching to the isocyanide terminus of a growing chain. In this case, the gold atoms in the oligomer derive from the gold substrate. In principle, bridging between adjacent electrodes could be tuned by controlling the 1,4-PDI dose. However, because both nucleation of the adatom complex and the subsequent oligomerization reactions occur at the periphery of gold nanoparticles, it is postulated that oligomer growth is inherently self-limiting. An analytical model is developed for this process that demonstrates the existence of self-limiting growth. This is modeled in greater detail using kinetic Monte Carlo simulations with the energy parameters derived from DFT calculation on gold that confirm that the growth is self-limiting and predicts that bridging between nanoelectrodes should only occur for spacings less than 12 nm. Fil: Olson, Dustin. University of Wisconsin; Estados Unidos Fil: Boscoboinik, Alejandro Miguel. University of Wisconsin; Estados Unidos Fil: Manzi, Sergio Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina Fil: Tysoe, Wilfred T.. University of Wisconsin; Estados Unidos |
| Databáze: | OpenAIRE |
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