In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy

J Timoshenko, B Roldan Cuenya - Chemical reviews, 2020 - ACS Publications
During the last decades, X-ray absorption spectroscopy (XAS) has become an
indispensable method for probing the structure and composition of heterogeneous catalysts …

[PDF][PDF] EXAFS and XANES analysis of oxides at the nanoscale

A Kuzmin, J Chaboy - IUCrJ, 2014 - journals.iucr.org
Worldwide research activity at the nanoscale is triggering the appearance of new, and
frequently surprising, materials properties in which the increasing importance of surface and …

“Inverting” X-ray absorption spectra of catalysts by machine learning in search for activity descriptors

J Timoshenko, AI Frenkel - Acs Catalysis, 2019 - ACS Publications
The rapid growth of methods emerging in the past decade for synthesis of “designer”
catalysts—ranging from the size and shape-selected nanoparticles to mass-selected …

EXAFS study of hydrogen intercalation into ReO 3 using the evolutionary algorithm

J Timoshenko, A Kuzmin, J Purans - Journal of Physics …, 2014 - iopscience.iop.org
In this study we have investigated the influence of hydrogen intercalation on the local atomic
structure of rhenium trioxide using a new approach to EXAFS data analysis, based on the …

Linking the evolution of catalytic properties and structural changes in copper–zinc nanocatalysts using operando EXAFS and neural-networks

J Timoshenko, HS Jeon, I Sinev, FT Haase… - Chemical …, 2020 - pubs.rsc.org
Understanding the evolution of unique structural motifs in bimetallic catalysts under reaction
conditions, and linking them to the observed catalytic properties is necessary for the rational …

Further insight into the conversion of a Ni–Fe metal–organic framework during water-oxidation reaction

M Salmanion, S Nandy, KH Chae… - Inorganic …, 2022 - ACS Publications
Metal–organic frameworks (MOFs) are extensively investigated as catalysts in the oxygen-
evolution reaction (OER). A Ni–Fe MOF with 2, 5-dihydroxy terephthalate as a linker has …

Interplay between microstructure and magnetism in NiO nanoparticles: breakdown of the antiferromagnetic order

N Rinaldi-Montes, P Gorria, D Martínez-Blanco… - Nanoscale, 2014 - pubs.rsc.org
The possibility of tuning the magnetic behaviour of nanostructured 3d transition metal oxides
has opened up the path for extensive research activity in the nanoscale world. In this work …

Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation

S Weber, RT Zimmermann, J Bremer, KL Abel… - …, 2022 - Wiley Online Library
There is considerable motivation in the catalysis community and chemical industry to
envision a future where rational catalyst design and targeted chemical process optimization …

EDA: EXAFS data analysis software package

A Kuzmin - Physica B: Condensed Matter, 1995 - Elsevier
The present paper describes the EXAFS data analysis software package, called EDA,
originally developed by the author for IBM PC compatible computers. It consists of a set of …

Atomic structure relaxation in nanocrystalline NiO studied by EXAFS spectroscopy: Role of nickel vacancies

A Anspoks, A Kalinko, R Kalendarev, A Kuzmin - Physical Review B …, 2012 - APS
Nanocrystalline NiO samples have been studied using the Ni K-edge extended x-ray
absorption fine structure (EXAFS) spectroscopy and recently developed modeling …