Single-atom (iron-based) catalysts: synthesis and applications

B Singh, MB Gawande, AD Kute, RS Varma… - Chemical …, 2021 - ACS Publications
Supported single-metal atom catalysts (SACs) are constituted of isolated active metal
centers, which are heterogenized on inert supports such as graphene, porous carbon, and …

Design and synthesis of thermally stable single atom catalysts for thermochemical CO2 reduction

EP Komarala, AA Alkhoori, X Zhang, HM Cheng… - Journal of Energy …, 2023 - Elsevier
The continuous and excessive emission of CO 2 into the atmosphere presents a pressing
challenge for global sustainable development. In response, researchers have been devoting …

Nature of metal-support interaction for metal catalysts on oxide supports

T Wang, J Hu, R Ouyang, Y Wang, Y Huang, S Hu… - Science, 2024 - science.org
The metal-support interaction is one of the most important pillars in heterogeneous catalysis,
but develo** a fundamental theory has been challenging because of the intricate …

High-Throughput Screening of Stable Single-Atom Catalysts in CO2 Reduction Reactions

R Qi, B Zhu, Z Han, Y Gao - Acs Catalysis, 2022 - ACS Publications
Single-atom catalysts (SACs) have been extensively applied in CO2 reduction reactions
(CO2RRs) due to their unique activity/selectivity and maximum atom efficiency. To form and …

Single atom catalysts: a review of characterization methods

M Kottwitz, Y Li, H Wang, AI Frenkel… - Chemistry …, 2021 - Wiley Online Library
Single atom catalysts (SACs) harbor a potential to exceed nanoparticle catalysts in terms of
activity, stability and selectivity in a growing number of chemical reactions. Although their …

Accelerating the Discovery of gC3N4-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy

MV Jyothirmai, D Roshini, BM Abraham… - ACS Applied Energy …, 2023 - ACS Publications
Two-dimensional materials supported by single atom catalysis (SAC) is foreseen to replace
platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a …

Predicting the work function of 2D MXenes using machine-learning methods

P Roy, L Rekhi, SW Koh, H Li… - Journal of Physics …, 2023 - iopscience.iop.org
MXenes, which are graphene-like two-dimensional transition metal carbides and nitrides,
have tunable compositions and exhibit rich surface chemistry. This compositional flexibility …

Enhancing Activity and Stability of Pd-on-TiO2 Single-Atom Catalyst for Low-Temperature CO Oxidation through in Situ Local Environment Tailoring

Y Lu, F Lin, Z Zhang, C Thompson, Y Zhu… - Journal of the …, 2024 - ACS Publications
The development of efficient Pd single-atom catalysts for CO oxidation, crucial for
environmental protection and fundamental studies, has been hindered by their limited …

Synthesis of high metal loading single atom catalysts and exploration of the active center structure

K Wang, X Wang, X Liang - ChemCatChem, 2021 - Wiley Online Library
Single‐atom catalysts (SACs) have been rising recently as a new frontier in the catalysis
field. Due to maximum atom utilization efficiency and tunable electronic structures, SACs …

Modeling morphology and catalytic activity of nanoparticle ensembles under reaction conditions

R Cheula, M Maestri, G Mpourmpakis - Acs Catalysis, 2020 - ACS Publications
Although nanoparticle catalysts obtain different sizes and shapes under reaction conditions,
computational modeling in heterogeneous catalysis is usually based on well-defined …