Covalent functionalization of Ni2P nanocrystals was demonstrated {using|utilizing|making use of|employing|working with|applying} aryl-diazonium salts. Spontaneous adsorption of aryl functional groups was observed, with surface coverages ranging from 20-96% {depending|based} {on the|around the} native reactivity {of the|from the|in the|on the|with the|of your} salt as determined by the aryl substitution pattern. {Increased|Elevated|Improved|Enhanced} coverage was {possible|feasible|achievable|attainable|doable|probable} for low reactivity species {using|utilizing|making use of|employing|working with|applying} a sacrificial reductant. Functionalization was confirmed {using|utilizing|making use of|employing|working with|applying} thermogravimetric {analysis|evaluation}, FTIR and X-ray photoelectron spectroscopy. The structure and energetics of this nanocrystal electrocatalyst {system|method|program|technique}, as a function of ligand coverage, was explored with density functional theory calculations. The Hammett parameter {of the|from the|in the|on the|with the|of your} surface functional group was {found|discovered|identified|located} to linearly correlate {with the|using the|with all the|together with the} {change|alter|modify|adjust|transform} in Ni and P core-electron binding energies {and the|and also the|as well as the|along with the|plus the} nanocrystal’s experimentally and computationally determined work-function. The electrocatalytic activity and stability {of the|from the|in the|on the|with the|of your} functionalized nanocrystals for hydrogen evolution {were|had been|have been} also {improved|enhanced} when {compared to|in comparison to|in comparison with|when compared with} the unfunctionalized material, but a {simple|easy|straightforward|basic|uncomplicated|very simple} trend {based|primarily based} on electrostatics was not evident. Density functional theory was {used|utilized|employed|utilised|applied|made use of} {to understand|to know} this discrepancy, revealing that H adsorption energies {on the|around the} covalently functionalized Ni2P also {do not|don’t|usually do not} {follow|adhere to|stick to|comply with} the electrostatic trend and are predictive descriptors {of the|from the|in the|on the|with the|of your} experimental {results|outcomes|final results|benefits}. Buy(R)-JQ-1 (carboxylic acid) 5-Chloro-2-tetralone Formula PMID:24103058
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