Exploring Azafullerenes as Efficient Metal-Free Catalysts for Electrochemical Urea Synthesis: A Density Functional Theory Study DOI

Hao Xu,

Ming Lan Ge,

Xiaolei Yuan

et al.

Published: Jan. 1, 2024

Language: Английский

Oxygen-Vacancy-Engineered Cr₂CO₂ Electrocatalysts for Efficient Urea Synthesis from Nitrite and Carbon Monoxide DOI

Tiantian Zhao,

Siyao Wang, Daifei Ye

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: unknown, P. 125327 - 125327

Published: March 1, 2025

Language: Английский

Citations

0
Experimental and density-functional theory simulation studies on the surface of Mn/Pb-activated scheelite DOI

Qi Zuo,

Shuming Wen, Dandan Wu

et al.

Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 349, P. 127791 - 127791

Published: May 4, 2024

Language: Английский

Citations

3
Durable and efficient urea electrosynthesis using carbon dioxide and nitrate over defect-rich In2O3 nanotubes DOI

Hongjun Fang,

Chen-Han Kuo,

Hongsheng Yang

et al.

Green Chemistry, Journal Year: 2024, Volume and Issue: 26(11), P. 6812 - 6821

Published: Jan. 1, 2024

A defect-rich In 2 O 3 electrocatalyst is highly durable and efficient for sustainable urea synthesis via co-reduction of CO /NO − under mild conditions.

Language: Английский

Citations

3
Design of Fe2Mo@γ-GDY triatomic catalyst for electrocatalytic urea synthesis of N2 and CO: a theoretical study DOI Open Access

Linyuan Chi,

Tonghui Wang, Qing Jiang

et al.

Journal of Materials Informatics, Journal Year: 2025, Volume and Issue: 5(1)

Published: Feb. 13, 2025

While urea is widely used as a chemical raw material, its precursor ammonia (NH3) has traditionally been synthesized under high-temperature/pressure conditions, leading to not only huge energy consumption but also serious CO2 emission. Here, we present groundbreaking catalyst design approach, which optimizes adsorption configurations and reaction pathways by controlling the energies of each intermediate in reaction, thus enhancing catalytic performance. Via density functional theory (DFT) calculations, designed triatomic [i.e., Fe2Mo@γ-graphdiyne (γ-GDY)] with limiting potential -0.22 V C-N coupling barrier 0.34 eV. Notably, Fe2Mo@γ-GDY presents high selectivity robust antioxidation capabilities applied potentials. Our comprehensive analysis elucidates factors affecting barrier. These insights significantly contribute advancement strategies for electrocatalytic synthesis, offering more efficient eco-friendly alternative traditional methods.

Language: Английский

Citations

0
Catalyst and gas diffusion electrode design toward C–N coupling for urea electrosynthesis DOI Creative Commons
Jiping Sun, Bichao Wu, Guangchao Li

et al.

eScience, Journal Year: 2025, Volume and Issue: unknown, P. 100425 - 100425

Published: April 1, 2025

Language: Английский

Citations

0
Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3− integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst DOI
Tianhang Zhou, Chen Shen, Zhenghao Wu

et al.

Journal of Energy Chemistry, Journal Year: 2024, Volume and Issue: 100, P. 273 - 285

Published: Sept. 4, 2024

Language: Английский

Citations

2
Achieving green synthesis of high-value-added chemicals via N-integrated CO2 co-reduction: a review DOI
Zhichao Wang, Sisi Liu, Yanzheng He

et al.

Rare Metals, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 14, 2024

Language: Английский

Citations

2
Experimental and Density-Functional Theory Simulation Studies on the Surface of Mn/Pb-Activated Scheelite DOI

Qi Zuo,

Shuming Wen,

Dandan Wu

et al.

Published: Jan. 1, 2024

Language: Английский

Citations

0
Exploring Azafullerenes as Efficient Metal-Free Catalysts for Electrochemical Urea Synthesis: A Density Functional Theory Study DOI

Hao Xu,

Ming Lan Ge,

Xiaolei Yuan

et al.

Published: Jan. 1, 2024

Language: Английский

Citations

0