This paper gives a review of recent work on benzene diffusion on graphitic carbon surfaces using neutron and helium scattering spectroscopy as well as computational modelling. Recent spin-echo spectroscopy measurements have demonstrated that benzene/graphite displays almost perfect Brownian diffusion and that it can be used as a tool to study dynamic friction. Incoherent neutron backscattering measurements, on the other hand, reveal a jump diffusion behaviour, related to the molecular rotational modes of the benzene rings. Molecular dynamics (MD) simulations have delivered a very detailed picture of the adsorbate dynamics. We use this review to illustrate the open questions and possible future directions of this research field.
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http://dx.doi.org/10.1088/0953-8984/22/30/304014 | DOI Listing |
Heliyon
January 2025
Department of Biological Sciences, Faculty of Science, Beirut Arab University, Tripoli, 1300, Lebanon.
The present study reports the characterization of the phytochemical content and the antibacterial activity of ethanolic extracts from the leaves (LE) and stems (SE) of against Methicillin resistant (MRSA. Important functional groups were determined by analyzing the FTIR spectra of LE and SE. The phytochemical profiles were analyzed by GC-MS, and these characterized the chemicals according to retention periods and peak regions.
View Article and Find Full Text PDFChem Sci
January 2025
MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry, GBRCE for Functional Molecular Engineering, IGCME, Sun Yat-Sen University Guangzhou 510275 China
The separation of C cyclic hydrocarbons (benzene, cyclohexene, and cyclohexane) is one of the most challenging chemical processes in the petrochemical industry. Herein, we design and synthesize a new SOD-topology metal azolate framework (MAF) with aperture gating behaviour controlled by C-Br⋯N halogen bonds, which exhibits distinct temperature- and guest-dependent adsorption behaviours for benzene/cyclohexene/cyclohexane. More importantly, the MAF enables the efficient purification of benzene from its binary and ternary mixtures (selectivity up to 113 ± 2; purity up to 98% +), which is the highest record for benzene/cyclohexane/cyclohexene separation to date.
View Article and Find Full Text PDFBeilstein J Nanotechnol
January 2025
Physics Institute, Goethe University Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt am Main, Germany.
A fast simulation approach for focused electron beam induced deposition (FEBID) numerically solves the diffusion-reaction equation (continuum model) of the precursor surface on the growing nanostructure in conjunction with a Monte Carlo simulation for electron transport in the growing deposit. An important requirement in this regard is to have access to a methodology that can be used to systematically determine the values for the set of precursor parameters needed for this model. In this work we introduce such a method to derive the precursor sticking coefficient as one member of the precursor parameter set.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran P.O. Box 14117-13116, Islamic Republic of Iran.
Several studies were focused on the application of MIL-100(Fe) (FeO(OH)(HO)(BTC), HBTC is 1,3,5-benzene tricarboxylic acid) in the photo-Fenton reaction, but it still suffers from low efficiency. In this work, MIL-100(Fe) was synthesized at ambient conditions and low pHs using Fe(II) precursors in homogeneous aqueous media to develop a sample with high activity in the photo-Fenton reaction, even better than Fe-porphyrin metal-organic frameworks. The as-synthesized sample is highly crystalline with 30.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry and Center for NanoScience (CeNS), University of Munich (LMU), Butenandtstraße 5-13, Munich 81377, Germany.
Covalent organic frameworks (COFs), crystalline and porous conjugated structures, are of great interest for sustainable energy applications. Organic building blocks in COFs with suitable electronic properties can feature strong optical absorption, whereas the extended crystalline network can establish a band structure enabling long-range coherent transport. This peculiar combination of both molecular and solid-state materials properties makes COFs an interesting platform to study and ultimately utilize photoexcited charge carrier diffusion.
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