Recent progress and prospects in catalytic water treatment

VI Parvulescu, F Epron, H Garcia, P Granger - Chemical Reviews, 2021 - ACS Publications
Presently, conventional technologies in water treatment are not efficient enough to
completely mineralize refractory water contaminants. In this context, the implementation of …

Artificial intelligence applied to battery research: hype or reality?

T Lombardo, M Duquesnoy, H El-Bouysidy… - Chemical …, 2021 - ACS Publications
This is a critical review of artificial intelligence/machine learning (AI/ML) methods applied to
battery research. It aims at providing a comprehensive, authoritative, and critical, yet easily …

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 …

Machine learning for catalysis informatics: recent applications and prospects

T Toyao, Z Maeno, S Takakusagi, T Kamachi… - Acs …, 2019 - ACS Publications
The discovery and development of catalysts and catalytic processes are essential
components to maintaining an ecological balance in the future. Recent revolutions made in …

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 …

Toward excellence of electrocatalyst design by emerging descriptor‐oriented machine learning

J Liu, W Luo, L Wang, J Zhang, XZ Fu… - Advanced Functional …, 2022 - Wiley Online Library
Abstract Machine learning (ML) is emerging as a powerful tool for identifying quantitative
structure–activity relationships to accelerate electrocatalyst design by learning from historic …

Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools

BB Sarma, F Maurer, DE Doronkin… - Chemical …, 2022 - ACS Publications
The potential of operando X-ray techniques for following the structure, fate, and active site of
single-atom catalysts (SACs) is highlighted with emphasis on a synergetic approach of both …

Single‐atom catalysts supported by crystalline porous materials: views from the inside

T Zhang, Z Chen, AG Walsh, Y Li… - Advanced Materials, 2020 - Wiley Online Library
Single‐atom catalysts (SACs) have recently emerged as an exciting system in
heterogeneous catalysis showing outstanding performance in many catalytic reactions …

Machine learning on neutron and x-ray scattering and spectroscopies

Z Chen, N Andrejevic, NC Drucker, T Nguyen… - Chemical Physics …, 2021 - pubs.aip.org
Neutron and x-ray scattering represent two classes of state-of-the-art materials
characterization techniques that measure materials structural and dynamical properties with …

Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships

SB Torrisi, MR Carbone, BA Rohr… - npj Computational …, 2020 - nature.com
X-ray absorption spectroscopy (XAS) produces a wealth of information about the local
structure of materials, but interpretation of spectra often relies on easily accessible trends …