Atomically precise metal nanoclusters as catalysts for electrocatalytic CO 2 reduction

T Kawawaki, T Okada, D Hirayama, Y Negishi - Green Chemistry, 2024 - pubs.rsc.org
Electrochemical carbon dioxide (CO2) reduction can be used to convert CO2 into various
compounds at room temperature and ambient pressure using electricity generated from …

Recent advancements in carbon/metal-based nano-catalysts for the reduction of CO2 to value-added products

A Senthilkumar, M Kumar, MS Samuel, S Ethiraj… - Chemosphere, 2024 - Elsevier
Due to the increased human activities in burning of fossil fuels and deforestation, the CO 2
level in the atmosphere gets increased up to 415 ppm; although it is an essential component …

CO2 and H2 Activation on Zinc‐Doped Copper Clusters

B Zamora, L Nyulászi, T Höltzl - ChemPhysChem, 2024 - Wiley Online Library
Here we systematically investigate the CO2 and H2 activation and dissociation on small
CunZn0/+(n= 3–6) clusters using Density Functional Theory. We show that Cu6Zn is a …

Synergistic effects of metal single atoms and clusters on graphene-supported electrocatalysts: Insights into the mechanism of oxygen reduction reaction

Y Zhang, J Feng, Z Shang, B Pang, S Zhang, H Dong… - Carbon, 2025 - Elsevier
In recent years, non-precious-metal-doped single-atom catalysts have emerged as
promising alternatives to Pt-based catalysts due to their high active site density and …

Conformal active learning-aided screening of ligand-protected Cu-nanoclusters for CO 2 reduction reactions

D Roy, A Das, B Pathak - Journal of Materials Chemistry A, 2024 - pubs.rsc.org
In this study, we propose a conformal active learning (CAL) method to screen ligand-
protected atomically precise Cu-nanoclusters for the CO2 reduction reaction. We investigate …

High-selectivity CO2-to-CH4 electrochemical reduction on copper trimer: A theoretical insight

Y Wang, Y Zhang, N Ma, J Zhao, Y Xiong, S Luo… - Surfaces and …, 2024 - Elsevier
The pursuit of enhanced catalysts represents a pivotal yet challenging undertaking in the
realm of CO 2 reduction to CH 4 powered by renewable electricity. The development of high …

A DFT study of CO 2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects

DN Sredojević, I Vukoje, Đ Trpkov… - Physical Chemistry …, 2024 - pubs.rsc.org
In addition to providing a sustainable route to green alternative energy and chemical
supplies from a cheap and abundant carbon source, recycling CO2 offers an excellent way …

[HTML][HTML] GC-IMS and GC/Q-TOFMS analysis of Maotai-flavor baijiu at different aging times

C Fan, X Shi, C Pan, F Zhang, Y Zhou, X Hou, M Hui - LWT, 2024 - Elsevier
There's a Chinese saying that the older the baijiu, the better it is. This study is an exploration
of why baijiu are getting better during storaging. The aging mechanism of baijiu is still in the …

Theoretical insights into Mo cluster modified Fe5C2 catalysts for electrocatalytic nitrogen reduction

M Chen, Q Li, D Liu, Z Ma, Y Zhang, D Li, J Bi… - Materials Today …, 2024 - Elsevier
The pursuit of green ammonia synthesis via electrocatalytic nitrogen reduction (NRR) faces
challenges in developing high-performance, selective electrocatalysts. Inspired by the …

Controllable product selectivity and reaction paths in CO2 electroreduction: A study of density functional theories of small CuxM clusters

J Lv, X Du, Y Hua, J Huang, P Liang - Computational Materials Science, 2024 - Elsevier
The efficient and selective electroreduction of CO 2 in chemical fuels can be environment-
energy friendly; however, it highly relies on catalysts with controllable selectivity and …