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 …

Modeling Operando Electrochemical CO2 Reduction

F Dattila, RR Seemakurthi, Y Zhou, N López - Chemical Reviews, 2022 - ACS Publications
Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …

Efficient electrochemical nitrate reduction to ammonia with copper‐supported rhodium cluster and single‐atom catalysts

H Liu, X Lang, C Zhu, J Timoshenko… - Angewandte Chemie …, 2022 - Wiley Online Library
The electrochemical nitrate reduction reaction (NITRR) provides a promising solution for
restoring the imbalance in the global nitrogen cycle while enabling a sustainable and …

Linking the Dynamic Chemical State of Catalysts with the Product Profile of Electrocatalytic CO2 Reduction

J Wang, HY Tan, Y Zhu, H Chu… - Angewandte Chemie, 2021 - Wiley Online Library
The promoted activity and enhanced selectivity of electrocatalysts is commonly ascribed to
specific structural features such as surface facets, morphology, and atomic defects …

Operando characterization techniques for electrocatalysis

J Li, J Gong - Energy & Environmental Science, 2020 - pubs.rsc.org
The energy crisis and climate change are growing threats to human society. Fuel cells and
electrolyzers using solar and wind as energy sources provide a promising carbon-free and …

Deciphering the structural and chemical transformations of oxide catalysts during oxygen evolution reaction using quick X-ray absorption spectroscopy and machine …

J Timoshenko, FT Haase, S Saddeler… - Journal of the …, 2023 - ACS Publications
Bimetallic transition-metal oxides, such as spinel-like Co x Fe3–x O4 materials, are known
as attractive catalysts for the oxygen evolution reaction (OER) in alkaline electrolytes …

In situ characterization for boosting electrocatalytic carbon dioxide reduction

X Cao, D Tan, B Wulan, KS Hui, KN Hui… - Small …, 2021 - Wiley Online Library
The electrocatalytic reduction of carbon dioxide into organic fuels and feedstocks is a
fascinating method to implement the sustainable carbon cycle. Thus, a rational design of …

Influencing electrocatalytic processes through topographically disordered atomic sites

P Prabhu, JM Lee - Chem Catalysis, 2023 - cell.com
Catalysts saturated with highly reactive under-coordinated disordered atomic sites have
been leveraged upon as high-performance electrode materials that are capable of …

Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry

AS Anker, KT Butler, R Selvan, KMØ Jensen - Chemical Science, 2023 - pubs.rsc.org
The rapid growth of materials chemistry data, driven by advancements in large-scale
radiation facilities as well as laboratory instruments, has outpaced conventional data …

Why big data and compute are not necessarily the path to big materials science

N Fujinuma, B DeCost, J Hattrick-Simpers… - Communications …, 2022 - nature.com
Applied machine learning has rapidly spread throughout the physical sciences. In fact,
machine learning-based data analysis and experimental decision-making have become …