TiO2–Mo2C Heterostructure for Enhanced Electrocatalytic Nitrogen Reduction to Ammonia DOI Creative Commons
Junmei Wang, Qingkun Tian,

Li Chen

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(50), P. 49945 - 49952

Published: Dec. 9, 2024

The development of catalysts with high activity and selectivity for the electrochemical nitrogen reduction reaction (NRR) remains crucial. Molybdenum carbide (Mo2C) shows promise as an electrocatalyst NRR but faces challenges due to difficulty N2 adsorption activation well competitive hydrogen evolution reaction. In this study, we propose a strategy combining TiO2 Mo2C form heterostructure catalysts. Our first-principles theoretical calculations indicate that TiO2–Mo2C exhibits enhanced activation, attributed increased interaction between π4d* orbital Mo π2p* N2, facilitated by directional modulation Mo's d-orbitals TiO2. A more positive integrated crystal Hamilton population elongated N≡N bond length prove this. Additionally, higher Gibbs free energy compared H demonstrates preference adsorption. We further elucidate catalytic mechanism converting NH3 on surface, identifying associative distal pathway dominant route over alternating pathway. This work highlights unique advantages provides guidance designing efficient electrocatalysts.

Language: Английский

Highly active vanadium-based nitrogen carrier doped with transition metals during chemical looping ammonia synthesis DOI

Ziheng Han,

Xiude Hu,

Qiuyan Xue

et al.

Journal of Cleaner Production, Journal Year: 2025, Volume and Issue: unknown, P. 145026 - 145026

Published: Feb. 1, 2025

Language: Английский

Citations

1
Reshape Iron Nanoparticles Using a Zinc Oxide Nanowire Array for High Efficiency and Stable Electrocatalytic Nitrogen Fixation DOI

Hongjin Xia,

Ming‐Tao Yang, Xingyu Zhou

et al.

ACS Applied Materials & Interfaces, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 21, 2025

As a type of century-old catalyst, the use iron-based materials runs through Haber–Bosch process and electrochemical synthesis ammonia because its excellent capability, low cost, abundant reserves. How to continuously improve catalytic activity stability for nitrogen fixation has always been goal pursued by scientific researchers. Herein, we develop free-standing i.e., iron nanoparticles with zinc oxide nanowire array support (Fe/ZnO NA), which exhibits high yield ∼54.81 μg h–1 mgcat.–1 Faradaic efficiency (FE) ∼9.56% in 0.5 M potassium hydroxide solution, along good reusability durability. Its electrocatalytic ability is superior that commercial Fe most reported Fe-based catalysts, thus showing great competitiveness. This ZnO NA not only supplies stable homogeneous dispersion but also provides very beneficial synergy their activity. The work renews traditional catalysts significance promoting industrialization synthesis.

Language: Английский

Citations

0
Dichalcogenides as Emerging Electrocatalysts for Efficient Ammonia Synthesis: A Focus on Mechanisms and Theoretical Potentials DOI Open Access
Jinuk Choi, Hyojung Lim, Subramani Surendran

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 28, 2025

Abstract Developing sustainable technologies for ammonia production through electrochemical reactions offers a promising alternative by leveraging renewable energy sources to produce under ambient conditions. These methods include nitrogen reduction reaction (NRR), nitric oxide (NORR), nitrite (NO 2 RR), and nitrate 3 RR). Optimizing efficiency (EE) in synthesis has become increasingly crucial as commercialization approaches. Herein, this work comprehensive study of system EE improvements the theoretical voltage calculations based on pH expansion bifunctional catalysts like transition metal dichalcogenides (TMDs), which can efficiently catalyze oxygen evolution (OER) synthesis. The review summarizes pH‐dependent redox potential Pourbaix diagrams NRR, NO RR, offering insights into potential‐pH regions where oxides are reduced NH . Incorporating design enables researchers minimize losses better improve overall performance. Finally, wraps up exploring roles TMD different mechanisms identifying areas improvement. broader impact lies its transform alignment with global efforts reduce greenhouse gas emissions.

Language: Английский

Citations

0
Fe dominated and O-vac rich mesoporous NiFe2O4 for enhanced electrocatalytic Nitrogen reduction to ammonia through enzymatic pathway DOI
Roshan Nazir

Electrochimica Acta, Journal Year: 2025, Volume and Issue: unknown, P. 145927 - 145927

Published: Feb. 1, 2025

Language: Английский

Citations

0
Vanadium nitride oxide quantum dots modified nitrogen-doped graphene as cathode for high-performance aqueous zinc-ion batteries DOI
Jiaqi Chang,

Xiaoping Fu,

Jiahui Liu

et al.

Journal of Power Sources, Journal Year: 2025, Volume and Issue: 639, P. 236649 - 236649

Published: March 3, 2025

Citations

0
Single-Atom Catalysts for Electrocatalytic Nitrogen Reduction to Ammonia: A Review DOI
Qiaorui Wang,

Dingyun Liang,

Zhongwen Zhang

et al.

Chinese Journal of Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 100599 - 100599

Published: April 1, 2025

Language: Английский

Citations

0
Leveraging Soft Acid‐Base Interactions Alters the Pathway for Electrochemical Nitrogen Oxidation to Nitrate with High Faradaic Efficiency DOI Open Access

Robin Singh,

Ashmita Biswas,

Narad Barman

et al.

Small, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 7, 2024

Abstract Electrocatalytic nitrogen oxidation reaction (N 2 OR) offers a sustainable alternative to the conventional methods such as Haber–Bosch and Ostwald processes for converting ) into high‐value‐added nitrate (NO 3 − under mild conditions. However, concurrent oxygen evolution (OER) inefficient N absorption/activation led slow OR kinetics, resulting in low Faradaic efficiencies NO yield rates. This study explored oxygen‐vacancy induced tin oxide (SnO ‐O v an efficient electrocatalyst, achieving impressive efficiency (FE) of 54.2% notable rate (22.05 µg h −1 mg cat at 1.7 V versus reversible hydrogen electrode (RHE) 0.1 m Na SO 4 . Experimental results indicate that SnO possesses substantially more vacancies than , correlating with enhanced performance. Computational findings suggest superior performance relatively overpotential is due reduced thermodynamic barrier *N OH during rate‐determining step, making this step energetically favorable adsorption OER. work demonstrates feasibility ambient synthesis on soft acidic Sn active site introduces new approach rational catalyst design.

Language: Английский

Citations

3
Electrochemical Ammonia Synthesis: The Energy Efficiency Challenge DOI Creative Commons
Yuanyuan Zhou, Xianbiao Fu, Ib Chorkendorff

et al.

ACS Energy Letters, Journal Year: 2024, Volume and Issue: 10(1), P. 128 - 132

Published: Dec. 13, 2024

We discuss the challenges associated with achieving high energy efficiency in electrochemical ammonia synthesis at near-ambient conditions. The current Li-mediated process has a theoretical maximum of ∼28%, since Li deposition gives rise to very large effective overpotential. As starting point toward finding electrocatalysts lower overpotentials, we show that one reason why and alkaline earth metals work as N2 reduction ambient conditions is thermal elemental processes, dissociation NH3 desorption, are both facile room temperature for these metals. Many transition metals, which have less negative potentials thus can dissociate but they all bind too strongly. Strategies circumvent this problem discussed, other requirements good electrocatalyst.

Language: Английский

Citations

2
Chromium oxide nanoparticles in‐situ immobilized onto nitrogen‐doped carbon plates with boosted catalytic activity toward nitrogen reduction reaction DOI
Jing Wang,

Chenbo Tang,

Hui Liufu

et al.

The Canadian Journal of Chemical Engineering, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 24, 2024

Abstract A chromium oxide‐based nanocomposite (Cr 2 O 3 @NC) is designed and prepared via a simple pyrolysis route with Cr‐based metal organic framework (MOF) as template. The research results indicate that Cr nanoparticles have an average size of ~70 nm are in situ formed imbedded onto the MOF‐derived 2D N‐doped carbon microplates. When employed inexpensive electrocatalyst for nitrogen reduction reaction (NRR) to synthesize ammonia, @NC demonstrates improved stable catalytic activity comparison bare . large ammonia production rate 29.42 μg mg −1 cat h under lower potential −0.4 V versus reversible hydrogen electrode (RHE) can be acquired Faradic efficiency 9.89% sodium sulphate solution. Additionally, satisfactory selectivity also achieved without hydrazine byproduct. greatly promoted regarded concerned its desirable structures such planar topological structure expanded active surface area, abundant sites, effective combination conductive carbon.

Language: Английский

Citations

0
TiO2–Mo2C Heterostructure for Enhanced Electrocatalytic Nitrogen Reduction to Ammonia DOI Creative Commons
Junmei Wang, Qingkun Tian,

Li Chen

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(50), P. 49945 - 49952

Published: Dec. 9, 2024

The development of catalysts with high activity and selectivity for the electrochemical nitrogen reduction reaction (NRR) remains crucial. Molybdenum carbide (Mo2C) shows promise as an electrocatalyst NRR but faces challenges due to difficulty N2 adsorption activation well competitive hydrogen evolution reaction. In this study, we propose a strategy combining TiO2 Mo2C form heterostructure catalysts. Our first-principles theoretical calculations indicate that TiO2–Mo2C exhibits enhanced activation, attributed increased interaction between π4d* orbital Mo π2p* N2, facilitated by directional modulation Mo's d-orbitals TiO2. A more positive integrated crystal Hamilton population elongated N≡N bond length prove this. Additionally, higher Gibbs free energy compared H demonstrates preference adsorption. We further elucidate catalytic mechanism converting NH3 on surface, identifying associative distal pathway dominant route over alternating pathway. This work highlights unique advantages provides guidance designing efficient electrocatalysts.

Language: Английский

Citations

0