Research progress on electrochemical CO2 reduction for Cu-based single-atom catalysts

X Li, X Yu, Q Yu - Science China Materials, 2023 - Springer
Electrochemical CO2 reduction reaction (CO2RR) is a critical route to reduce the
concentration of CO2 in the atmosphere and solve the energy crisis by converting CO2 into …

Single-Atom Rhodium on Defective gC3N4: A Promising Bifunctional Oxygen Electrocatalyst

H Niu, X Wan, X Wang, C Shao… - ACS Sustainable …, 2021 - ACS Publications
It is highly desirable to design bifunctional electrocatalysts to realize highly efficient oxygen
evolution/reduction reaction (OER/ORR). Herein, density functional theory (DFT) …

Template-Sacrificing Synthesis of Well-Defined Asymmetrically Coordinated Single-Atom Catalysts for Highly Efficient CO2 Electrocatalytic Reduction

M Huang, B Deng, X Zhao, Z Zhang, F Li, K Li, Z Cui… - ACS …, 2022 - ACS Publications
Although various single-atom catalysts have been designed, atomically engineering their
coordination environment remains a great challenge. Herein, a one-pot template-sacrificing …

A Feasible Strategy for Identifying Single‐Atom Catalysts Toward Electrochemical NO‐to‐NH3 Conversion

H Niu, Z Zhang, X Wang, X Wan, C Kuai, Y Guo - Small, 2021 - Wiley Online Library
Combining NO removal and NH3 synthesis, electrochemical NO reduction reaction (NORR)
toward NH3 is considered as a novel and attractive approach. However, exploring suitable …

Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO2 Reduction

X Wan, Z Zhang, H Niu, Y Yin, C Kuai… - The Journal of …, 2021 - ACS Publications
The highly active and selective carbon dioxide reduction reaction (CO2RR) can generate
valuable products such as fuels and chemicals and reduce the emission of greenhouse …

Strain engineering in single-atom catalysts: GaPS 4 for bifunctional oxygen reduction and evolution

X Liu, T Liu, W **ao, W Wang, Y Zhang… - Inorganic Chemistry …, 2022 - pubs.rsc.org
We report here a theoretical study on 34 transition metal doped two-dimensional GaPS4
catalysts, denoted as transition metal transition metal@ VS-GaPS4. Among them, the Pt …

Machine Learning Accelerates the Screening of Single-Atom Catalysts towards CO2 Electroreduction

Y Shi, Z Liang - Applied Catalysis A: General, 2024 - Elsevier
With the gradual increase of global warming and energy crisis, electrocatalytic reduction of
CO 2 is necessary to alleviate atmospheric contamination and produce value-added fuels …

Data-driven design of dual-metal-site catalysts for the electrochemical carbon dioxide reduction reaction

H Feng, H Ding, P He, S Wang, Z Li, Z Zheng… - Journal of Materials …, 2022 - pubs.rsc.org
Electroreduction of carbon dioxide (CO2) offers a sustainable approach to realize carbon
recycling and energy regeneration, and development of high-efficiency electrocatalysts for …

Nickel single atom catalyst supported on the gallium nitride monolayer: first principles investigations on the decisive role of support in the electrocatalytic reduction of …

R Khanam, A Hassan, Z Nazir, MA Dar - Sustainable Energy & Fuels, 2023 - pubs.rsc.org
Designing efficient and low cost electrocatalysts for the reduction of CO2 to valuable
chemicals is a sustainable way of mitigating and balancing its concentrations in the …

Modulation of graphene and graphdiyne by metaln (n= 1–5) adsorption and nucleation and the effect on hydrogen evolution reaction

C Sun, Z Duan, P Wang, X Zhang, M Huang… - Applied Surface …, 2022 - Elsevier
Comprehending the interaction of metal clusters with two-dimensional (2D) carbon materials
at the atomic level is important for the rational design of relative materials for various …