The role of second coordination-sphere interactions in incommensurately modulated structures, using beta-K5Yb( MoO4)(4) as an example
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Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...
Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...
A highly stable nanocomposite of antioxidant activity was developed by immobilization of a superoxide dismutase-mimicking metal complex on copolymer-functionalized nanoclay. The layered double hydroxide (LDH) nanoclays were synthesized and surface modifica ...
We study nonlocal effects associated with particle collisions in dense suspension flows, in the context of the Affine Solvent Model, known to capture various aspects of the jamming transition. We show that an individual collision changes significantly the ...
Amer Physical Soc2016
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Most of our understanding of chemistry derives from atomic-level structures obtained with single-crystal X-ray diffraction. Metal centers in X-ray structures of small organometallic or coordination complexes are often extremely well-defined, with errors in ...
2020
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Metal organic frameworks (MOFs) are extended structures composed of a network of organic ligands and metal ions or clusters connected to each other via coordination bonds. The numerous choices of organic ligands and metal coordination geometries have led t ...
Elsevier2017
Cation ordering is expected to influence the properties of oxides in the ZrO2−YTaO4 system, but the ordering patterns and their relative energies are not well understood. This work investigates the stability of zirconium-yttrium-tantalum orderings over the ...
APS2018
We present condensed-phase first-principles molecular dynamics simulations to elucidate the presence of different electron trapping sites in liquid methanol and their roles in the formation, electronic transitions, and relaxation of solvated electrons (e(m ...
We present the results of temperature-dependent self-assembly of dicarbonitrile-pentaphenyl molecules (NC-Ph-5-CN) on Cu(111). Our low-temperature scanning tunneling microscopy study reveals the formation of metal-organic and purely organic structures, dep ...
The structural, thermomechanical, and viscoelastic properties of metallosupramolecular polymers (MSPs) can be controlled through the choice of the multiligand monomer and the nature of the metal salt from which these materials are assembled. This versatili ...