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 …
indispensable method for probing the structure and composition of heterogeneous catalysts …
[PDF][PDF] EXAFS and XANES analysis of oxides at the nanoscale
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 …
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 …
catalysts—ranging from the size and shape-selected nanoparticles to mass-selected …
EXAFS study of hydrogen intercalation into ReO 3 using the evolutionary algorithm
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 …
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
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 …
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
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 …
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
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 …
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
There is considerable motivation in the catalysis community and chemical industry to
envision a future where rational catalyst design and targeted chemical process optimization …
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 …
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
Nanocrystalline NiO samples have been studied using the Ni K-edge extended x-ray
absorption fine structure (EXAFS) spectroscopy and recently developed modeling …
absorption fine structure (EXAFS) spectroscopy and recently developed modeling …