Atomic (single, double, and triple atoms) catalysis: frontiers, opportunities, and challenges
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 …
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 …
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 …
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 …
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
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 …
(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 …
(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 …
energy conversion technologies. Electrocatalytic activities drive the functionality of these …
Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts
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 …
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
Electrochemical nitrogen reduction reaction (NRR) is becoming increasingly important for
ammonia (NH3) synthesis, but the development of effective electrocatalysts remains a great …
ammonia (NH3) synthesis, but the development of effective electrocatalysts remains a great …
Interaction of zinc oxide nanoparticles with water: Implications for catalytic activity
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 …
zinc oxide (ZnO) nanoparticles owing to their ability to generate reactive oxygen species by …