Electrochemical nitrate reduction: ammonia synthesis and the beyond

Y Xiong, Y Wang, J Zhou, F Liu, F Hao… - Advanced …, 2024 - Wiley Online Library
Natural nitrogen cycle has been severely disrupted by anthropogenic activities. The overuse
of N‐containing fertilizers induces the increase of nitrate level in surface and ground waters …

Multiscale QM/MM modelling of catalytic systems with ChemShell

Y Lu, K Sen, C Yong, DSD Gunn, JA Purton… - Physical Chemistry …, 2023 - pubs.rsc.org
Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are a powerful
computational tool for the investigation of all forms of catalysis, as they allow for an accurate …

Plasma-assisted manipulation of vanadia nanoclusters for efficient selective catalytic reduction of NOx

Y Yin, B Luo, K Li, BM Moskowitz… - nature …, 2024 - nature.com
Supported nanoclusters (SNCs) with distinct geometric and electronic structures have
garnered significant attention in the field of heterogeneous catalysis. However, their directed …

Cu docking-activated Nb incorporation in multivariate CuO-Nb2O5/CeO2 catalysts for selective reduction of NOx with NH3

Y Hao, Y Wang, T Zhang, Y Liu, QY Fan, Y Jiang… - Applied Catalysis B …, 2024 - Elsevier
Improving the low-temperature selective catalytic reduction of NO x with NH 3 (NH 3-SCR)
meanwhile maintaining N 2 selectivity are challenging in the field of catalysis. Herein, we …

[HTML][HTML] The rôle of iron in zeolite beta for deNOx catalysis

JA Nasir, J Guan, TW Keal, Y Lu, AA Sokol… - Journal of …, 2024 - Elsevier
Selective catalytic reduction with ammonia (NH 3-SCR) is a widely used deNOx process,
employing zeolitic catalysts. Here, we examine framework substituted and extra-framework …

Understanding deNO x mechanisms in transition metal exchanged zeolites

JA Nasir, AM Beale, CRA Catlow - Chemical Society Reviews, 2024 - pubs.rsc.org
Transition-metal-containing zeolites have wide-ranging applications in several catalytic
processes including the selective catalytic reduction (SCR) of NOx species. To understand …

Unveiling the mechanisms of carboxylic acid esterification on acid zeolites for biomass-to-energy: A review of the catalytic process through experimental and …

GJ Gomes, MF Zalazar, JC Padilha, MB Costa… - Chemosphere, 2024 - Elsevier
In recent years, there has been significant interest from industrial and academic areas in the
esterification of carboxylic acids catalyzed by acidic zeolites, as it represents a sustainable …

Spatial Distribution of Brønsted Acid Sites Determines the Mobility of Reactive Cu Ions in the Cu-SSZ-13 Catalyst during the Selective Catalytic Reduction of NO x with …

Y Fu, W Ding, H Lei, Y Sun, J Du, Y Yu… - Journal of the …, 2024 - ACS Publications
The formation of dimer-Cu species, which serve as the active sites of the low-temperature
selective catalytic reduction of NO x with NH3 (NH3-SCR), relies on the mobility of CuI …

Rational Design of Earth‐Abundant Catalysts toward Sustainability

J Guo, Y Haghshenas, Y Jiao, P Kumar… - Advanced …, 2024 - Wiley Online Library
Catalysis is crucial for clean energy, green chemistry, and environmental remediation, but
traditional methods rely on expensive and scarce precious metals. This review addresses …

Selective catalytic reduction of NO x with NH 3 over copper-based catalysts: recent advances and future prospects

G Liu, H Zhang, Y Li, P Wang, S Zhan - EES Catalysis, 2024 - pubs.rsc.org
Selective catalytic reduction of NO with NH3 (NH3-SCR) is a promising technology to reduce
the emission of nitrogen oxides (NOx) from diesel engines and industrial flue gases. Due to …