Atomic (single, double, and triple atoms) catalysis: frontiers, opportunities, and challenges

ZW Chen, LX Chen, CC Yang, Q Jiang - Journal of Materials Chemistry …, 2019 - pubs.rsc.org
The atomic dispersing of metal atoms supported on an optimal substrate exhibits an ideal
strategy for maximizing metal utilization for catalysis, which is particularly significant for …

[HTML][HTML] Kinetic Monte Carlo simulations for heterogeneous catalysis: Fundamentals, current status, and challenges

M Pineda, M Stamatakis - The Journal of Chemical Physics, 2022 - pubs.aip.org
Kinetic Monte Carlo (KMC) simulations in combination with first-principles (1p)-based
calculations are rapidly becoming the gold-standard computational framework for bridging …

Activating C–H bonds by tuning Fe sites and an interfacial effect for enhanced methanol oxidation

S Huang, F Feng, RT Huang, T Ouyang… - Advanced …, 2022 - Wiley Online Library
The interaction mechanism between the reacting species and the active site of α‐Fe2O3‐
based photoanodes in photoelectrochemical methanol conversion reaction is still …

Enhanced Photoelectrocatalytic Activities for CH3OH‐to‐HCHO Conversion on Fe2O3/MoO3: Fe‐O‐Mo Covalency Dominates the Intrinsic Activity

S Huang, T Ouyang, BF Zheng… - Angewandte Chemie …, 2021 - Wiley Online Library
The catalytic conversion of alcohols under mild conditions is a great challenge because it is
constrained by low selectivity and low activity. Herein, we demonstrate a hollow nanotube …

Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C3N4) for Nitrogen Electroreduction

Z Chen, J Zhao, CR Cabrera, Z Chen - Small Methods, 2019 - Wiley Online Library
The development of low‐cost and efficient electrocatalysts for nitrogen reduction reaction
(NRR) at ambient conditions is crucial for NH3 synthesis and provides an alternative to the …

Inhibitory effect of trace impurities on methanol reforming by Cu/ZnO/Al2O3 catalyst: Steam reforming and autothermal reforming of model bio-methanol

K Nomoto, H Miura, T Shishido - Applied Catalysis B: Environmental, 2023 - Elsevier
Abstract Model bio-methanol was prepared by adding a trace quantity of lower alcohols
(ethanol, 1-propanol, and 1-butanol) as model impurities to methanol. The catalytic …

Electrocatalytic activity on single atoms catalysts: synthesis strategies, characterization, classification, and energy conversion applications

T Matthews, TA Mashola, KA Adegoke… - Coordination Chemistry …, 2022 - Elsevier
Due to ever compounding environmental issues, the energy future is based on sustainable
energy conversion technologies. Electrocatalytic activities drive the functionality of these …

Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts

H Prats, S Posada-Pérez, JA Rodriguez, R Sayos… - ACS …, 2019 - ACS Publications
The interaction between metal particles and the support in heterogeneous catalysis has
been the subject of a large number of studies. While strong metal–support interactions can …

Coronene-based 2D metal–organic frameworks: A new family of promising single-atom catalysts for nitrogen reduction reaction

B Li, W Du, Q Wu, Y Dai, B Huang… - The Journal of Physical …, 2021 - ACS Publications
Electrochemical nitrogen reduction reaction (NRR) is becoming increasingly important for
ammonia (NH3) synthesis, but the development of effective electrocatalysts remains a great …

Interaction of zinc oxide nanoparticles with water: Implications for catalytic activity

TB Rawal, A Ozcan, SH Liu, SV Pingali… - ACS Applied Nano …, 2019 - ACS Publications
Novel technological applications in catalysis and bactericidal formulation have emerged for
zinc oxide (ZnO) nanoparticles owing to their ability to generate reactive oxygen species by …