Effect of chain length on the near edge X-ray absorption fine structure spectra of liquid n-Alkanes

Shokatian, Sadegh; Wang, Jian; Urquhart, Stephen G.

doi:10.1016/j.cplett.2020.137564

Cited by 5 publications

(1 citation statement)

References 48 publications

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“…Carbon K -edge XAS shows a sharper peak for C1 s → σ * (C–H) 287 eV, indicating a higher orientation order of adsorbed C 18 S ligands on copper than on C 18 SH powder (Supplementary Fig. 11 ) 26 .…”

Section: Resultsmentioning

confidence: 99%

Ligand-modified nanoparticle surfaces influence CO electroreduction selectivity

Shirzadi,

Jin,

Zeraati

et al. 2024

Nat Commun

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Improving the kinetics and selectivity of CO2/CO electroreduction to valuable multi-carbon products is a challenge for science and is a requirement for practical relevance. Here we develop a thiol-modified surface ligand strategy that promotes electrochemical CO-to-acetate. We explore a picture wherein nucleophilic interaction between the lone pairs of sulfur and the empty orbitals of reaction intermediates contributes to making the acetate pathway more energetically accessible. Density functional theory calculations and Raman spectroscopy suggest a mechanism where the nucleophilic interaction increases the sp2 hybridization of CO(ad), facilitating the rate-determining step, CO* to (CHO)*. We find that the ligands stabilize the (HOOC–CH2)* intermediate, a key intermediate in the acetate pathway. In-situ Raman spectroscopy shows shifts in C–O, Cu–C, and C–S vibrational frequencies that agree with a picture of surface ligand-intermediate interactions. A Faradaic efficiency of 70% is obtained on optimized thiol-capped Cu catalysts, with onset potentials 100 mV lower than in the case of reference Cu catalysts.

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Section: Resultsmentioning

confidence: 99%

Ligand-modified nanoparticle surfaces influence CO electroreduction selectivity

Shirzadi,

Jin,

Zeraati

et al. 2024

Nat Commun

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Dynamic Variation of Rectification Observed in Supramolecular Mixed Mercaptoalkanoic Acid

Kong,

Jang,

Choi

et al. 2023

Small

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Functionality in molecular electronics relies on inclusion of molecular orbital energy level within a transmission window. This can be achieved by designing the active molecule with accessible energy levels or by widening the window. While many studies have adopted the first approach, the latter is challenging because defects in the active molecular component cause low breakdown voltages. Here, it is shown that control over the packing structure of monolayer via supramolecular mixing transforms an inert molecule into a highly tunable rectifier. Binary mixed monolayer composed of alkanethiolates with and without carboxylic acid head group as a proof of concept is formed via a surface‐exchange reaction. The monolayer withstands high voltages up to |4.5 V| and shows a dynamic rectification–external bias relationship in magnitude and polarity. Sub‐highest occupied molecular orbital (HOMO) levels activated by the widened transmission window account for these observations. This work demonstrates that simple supramolecular mixing can imbue new electrical properties in electro‐inactive organic molecules.

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High-resolution X-ray absorption spectroscopy of alkanethiolate self-assembled monolayers on Au(111) and Ag(111)

Feulner

Zharnikov

2021

Journal of Electron Spectroscopy and Related Phenomena

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Effect of chain length on the near edge X-ray absorption fine structure spectra of liquid n-Alkanes

Cited by 5 publications

References 48 publications

Ligand-modified nanoparticle surfaces influence CO electroreduction selectivity

Ligand-modified nanoparticle surfaces influence CO electroreduction selectivity

Dynamic Variation of Rectification Observed in Supramolecular Mixed Mercaptoalkanoic Acid

High-resolution X-ray absorption spectroscopy of alkanethiolate self-assembled monolayers on Au(111) and Ag(111)

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