Mikhail A. Soldatov

TL;DR: Ni K-edge XANES simulations performed by the accelerated version of the code allowed analyzing the coordination geometry of CO and NO on the Ni active sites in CPO-27-Ni MOF, and the X-ray absorption spectrum for the intermediate triplet state with expected 100 fs lifetime was theoretically predicted.

TL;DR: In this paper, a high-resolution X-ray emission spectrometer was developed to record the absorption and emission spectra of pure water in full agreement with those of the literature, and an aqueous solution of NiCl2.

TL;DR: In this paper, the authors provide a selection of four examples where operando XANES technique has been able to provide capital information on the structure of the active site in catalysts of industrial relevance: (i) Phillips catalyst for ethylene polymerization reaction, (ii) TS-1 catalyst for selective hydrogenation reactions; (iii) carbon supported Pd nanoparticles for hydrogenation reaction; (iv) Cu-CHA zeolite for NH3-assisted selective reduction of NOx and for partial oxidation of methane to methanol.

TL;DR: The observed spectral changes are unambiguously related to the increasing number of broken hydrogen bonds with decreasing water concentration, and the hydrogen-bond network of liquid water can be addressed on purely experimental grounds without the need for theoretical modeling.