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We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van derWaals dispersion-corre ...
Reaction of the pentamethylcyclopentadienyl rhodium iodide dimer Cp*RhI2 with 1,1'-diphenyl-3,3'-methylenediimidazolium diiodide in non-alcohol solvents, in the presence of base, led to the formation of bis-carbene complex [Cp*Rh(bis-NHC)I] I (bis-NHC ...
This thesis deals with the electrocatalytic properties of two-dimensional metal organic coordination networks (2D-MOCNs) self-assembled on electrode surfaces and catalytic activity of 2D-MOCNs is demonstrated for the first time. The low-coordinated metal c ...
A thorough experimental and computational study has been carried out to elucidate the mechanistic reasons for the high volumetric uptake of methane in the metal-organic framework Cu-3(btc)(2) (btc(3-) = 1,3,5-benzenetricarboxylate; HKUST-1). Methane adsorp ...
Nanostructured metal–insulator–metal (MIM) metasurfaces supporting gap-plasmons (GPs) show great promise due to their ability to manipulate or concentrate light at the nanoscale, which is of importance to a broad palette of technologies. The interaction be ...
The metal-mediated redox transformation of CO2 in mild conditions is an area of great current interest. The role of cooperativity between a reduced metal center and a Lewis acid center in small-molecule activation is increasingly recognized, but has not so ...
Many efforts have been undertaken in past decades to minimize pollution from municipal solid waste incineration fly ash (MSWI FA). This residue is toxic, because of its high concentration of heavy metals, mainly Pb and Zn. A new method for heavy metals ent ...
Cette intervention s’appuie sur les résultats d’une enquête menée sur la distribution spatiale des pratiquants français de six jeux institutionnels ; elle propose d’explorer deux pistes ouvertes par cette approche cartographique. La première (re)place l’es ...
2013
Humic substances (HS) play key role in toxic metal binding and protecting aquatic microorganisms from metal-induced stress. Any environmental changes that could alter HS concentration and reactivity can be expected to modify metal complexation and thus aff ...
Label-free biosensing based on metallic nano-particles supporting localized surface plasmon resonances (LSPR) has recently received growing interest (Anker, J. N., et al. Nat. Mater. 2008, 7, 442-453). Besides its competitive sensitivity (Yonzon, C. R., et ...
