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 …

Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024 - ACS Publications
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …

Tracking the Evolution of Single-Atom Catalysts for the CO2 Electrocatalytic Reduction Using Operando X-ray Absorption Spectroscopy and Machine Learning

A Martini, D Hursán, J Timoshenko… - Journal of the …, 2023 - ACS Publications
Transition metal-nitrogen-doped carbons (TMNCs) are a promising class of catalysts for the
CO2 electrochemical reduction reaction. In particular, high CO2-to-CO conversion activities …

Supervised machine-learning-based determination of three-dimensional structure of metallic nanoparticles

J Timoshenko, D Lu, Y Lin… - The journal of physical …, 2017 - ACS Publications
Tracking the structure of heterogeneous catalysts under operando conditions remains a
challenge due to the paucity of experimental techniques that can provide atomic-level …

“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 …

Classification of local chemical environments from x-ray absorption spectra using supervised machine learning

MR Carbone, S Yoo, M Topsakal, D Lu - Physical Review Materials, 2019 - APS
X-ray absorption spectroscopy is a premier element-specific technique for materials
characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes …

Selective recovery of silver and palladium from acidic waste solutions using dithiocarbamate-functionalized cellulose

FB Biswas, IMM Rahman, K Nakakubo… - Chemical Engineering …, 2021 - Elsevier
The efficient extraction and recovery of precious metals (PMs) such as silver (Ag I) and
palladium (Pd II) from waste sources are of high importance, as natural reserves are limited …

Dilute Pd/Au Alloy Nanoparticles Embedded in Colloid-Templated Porous SiO2: Stable Au-Based Oxidation Catalysts

M Luneau, T Shirman, A Filie, J Timoshenko… - Chemistry of …, 2019 - ACS Publications
Dilute alloy materials hold great promise for enhancing selectivity in catalytic reactions. A
major challenge with such catalytic materials is developing supported alloy nanoparticles …

Palladium nanocrystals-imbedded mesoporous hollow carbon spheres with enhanced electrochemical kinetics for high performance lithium sulfur batteries

S Ma, L Wang, Y Wang, P Zuo, M He, H Zhang, L Ma… - Carbon, 2019 - Elsevier
Lithium sulfur (Li-S) battery is one promising candidate for high energy density
electrochemical energy storage system. Accelerating the sluggish reaction kinetics of sulfur …

Single Au atom doping of silver nanoclusters

M van Der Linden, AJ Van Bunningen, L Amidani… - ACS …, 2018 - ACS Publications
Ag29 nanoclusters capped with lipoic acid (LA) can be doped with Au. The doped clusters
show enhanced stability and increased luminescence efficiency. We attribute the higher …