Insights into the interactions of biomolecules with small gold clusters: a theoretical study from a DFTB perspective
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2118-7
Abstract: In this study, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption energies and… read more here.
Keywords: gold cluster; interactions biomolecules; biomolecules small; study ... See more keywords
4-Iodophenylboronic Acid Stabilized Gold Cluster as a New Fluorescent Chemosensor for Saccharides Based on Excimer Emission Quenching.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of fluorescence"
DOI: 10.1007/s10895-020-02672-2
Abstract: 4-iodophenylboronic acid (IPBA) ligated luminescent gold cluster was synthesized by mixing an aqueous solution of IBPA and polyvinylpyrrolidone stabilized gold cluster (Au:PVP) in water at room temperature through chemisorption of iodine on gold nano surface.… read more here.
Keywords: iodophenylboronic acid; cluster; excimer emission; gold cluster ... See more keywords
Gold Cluster Coverage Effect on H2 Production over Rutile TiO2(110)
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DOI: 10.1021/acscatal.9b01890
Abstract: Unlike catalytic reactions thermally driven by metal nanoparticles, reaction rates in photocatalysis do not scale with either the density of nanoparticles or their size. Because of the complexity o... read more here.
Keywords: rutile tio2; coverage effect; gold cluster; effect production ... See more keywords
Altering CO binding on gold cluster cations by Pd-doping.
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DOI: 10.1039/c9nr04237g
Abstract: The introduction of dopant atoms into metal nanoparticles is an effective way to control the interaction with adsorbate molecules and is important in many catalytic processes. In this work, experimental and theoretical evidence of the… read more here.
Keywords: gold cluster; cations doping; altering binding; cluster cations ... See more keywords
Unexpected structures of the Au17 gold cluster: the stars are shining.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc00891b
Abstract: The Au17 gold cluster was experimentally produced in the gas phase and characterized by its vibrational spectrum recorded using far-IR multiple photon dissociation (FIR-MPD) of Au17Kr. DFT and coupled-cluster theory PNO-LCCSD(T)-F12 computations reveal that, at… read more here.
Keywords: gold cluster; unexpected structures; structures au17; cluster stars ... See more keywords