Conformational Transitions of Phase-Separated Binary Molecules Assisted by Surface Dehalogenation.

Langmuir

State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences , Shanghai 200050 , People's Republic of China.

Published: March 2019

AI Article Synopsis

  • Molecular devices are emerging as alternatives to traditional silicon-based electronics, with their properties linked to molecular shape and arrangement.
  • Researchers observed a transition in melamine molecules from a lying-down to a standing-up position on the Au(111) surface, aided by hexabromobenzene (HBB) facilitating changes in molecular domains.
  • Similar conformational changes were also noted on the Ag(111) surface, suggesting a new method for creating ordered molecular arrays, which could be crucial for developing organic thin film transistors.

Article Abstract

Molecular devices have become an emergent branch of nanoscience and technology beyond traditional silicon-based electronic devices. The properties of these devices are intimately related to the molecular conformation and packing. In this article, three different conformations of melamine molecules are observed on Au(111), and a transition from the lying-down to standing-up phase with long-range order is realized in melamine chains with the assistance of hexabromobenzene (HBB). We argue that it is the expanding of HBB domains from hexagonal to the dimer phase due to surface dehalogenation that facilitates the dehydrogenation of melamine to form a standing-up conformation. Similar transitions are also accomplished on the Ag(111) surface. Our results provide an effective way to achieve standing-up molecular arrays with long-range order on relatively less active metals. This may have significant implications in fabricating organic thin film transistors.

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.langmuir.8b04220DOI Listing

Publication Analysis

Top Keywords

surface dehalogenation
8
long-range order
8
conformational transitions
4
transitions phase-separated
4
phase-separated binary
4
binary molecules
4
molecules assisted
4
assisted surface
4
dehalogenation molecular
4
molecular devices
4

Similar Publications

The synthesis of porphyrinoid-based low-dimensional polymers has recently attracted considerable interest in view of their intriguing electronic, optical, and catalytic properties. Here, this is introduced by the surface-assisted synthesis of two carbaporphyrinoid-based polymers of increasing dimensionality under ultrahigh-vacuum conditions. The structural and electronic characterization of the resulting polymers has been performed by scanning tunneling and non-contact atomic force microscopies, complemented by theoretical modeling.

View Article and Find Full Text PDF
Article Synopsis
  • Trichloroethylene (TCE) is a harmful chemical found in the soil, and it is hard to get rid of because of a protective layer on iron powder.
  • Scientists created a special bacteria, called Escherichia sp. F1, which helps break down TCE by releasing iron effectively.
  • With the right conditions, this new method can remove up to 86.86% of TCE in the soil in just 28 days, making it a greener way to clean the environment!
View Article and Find Full Text PDF

A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces.

Chemphyschem

October 2024

Materials Design Division, Department of Physics, Chemistry and Biology, IFM, Linköping University, 58183, Linköping, Sweden.

Article Synopsis
  • Researchers explored the on-surface synthesis of organic nanostructures using density functional theory (DFT) and examined how different DFT approaches impact the results.
  • Five methods, including variations that account for van der Waals (vdW) interactions, were tested on three reactions involving benzene derivatives on metal surfaces.
  • The study found that rev-vdW-DF2 was the most effective for benzene adsorption, while BEEF-vdW performed poorly; all methods, except BEEF-vdW, generally provided reasonable activation energies for dehydrogenation and debromination reactions.
View Article and Find Full Text PDF

A method for the synthesis of benzoic acids from aryl iodides using two of the most abundant and sustainable feedstocks, carbon dioxide (CO) and water, is disclosed. Central to this method is an effective and selective electrochemical reduction of CO (eCORR) to CO, which mitigates unwanted dehalogenation reactions occurring when H is produced via the hydrogen evolution reaction (HER). In a 3-compartment set-up, CO was reduced to CO electrochemically by using a surface-modified silver electrode in aqueous electrolyte.

View Article and Find Full Text PDF

The on-surface synthesis strategy has emerged as a promising route for fabricating well-defined two-dimensional (2D) BN-substituted carbon nanomaterials with tunable electronic properties. This approach relies on specially designed precursors and requires a thorough understanding of the on-surface reaction pathways. It promises precise structural control at the atomic scale, thus complementing chemical vapor deposition (CVD).

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!