Unlocking the potential of alkaline-earth metal active centers for nitrogen activation and ammonia synthesis: the role of s–d orbital synergy-Reference-Cited by-同舟云学术

Unlocking the potential of alkaline-earth metal active centers for nitrogen activation and ammonia synthesis: the role of s–d orbital synergy

Published:2024 Issue:7 Volume:12 Page:4278-4289
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Wu Donghai¹²,Wu Jiarui¹,Li Haobo¹,Lv Wenjing¹,Song Yanhao¹,Ma Dongwei¹^ORCID,Jia Yu¹^ORCID

Affiliation:

1. Key Laboratory for Special Functional Materials of Ministry of Education, School of Materials Science and Engineering, Henan University, Kaifeng 475004, China

2. Henan Key Laboratory of Nanocomposites and Applications, Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou 450006, China

Abstract

N2 can be activated via s–d orbital synergy of AE metal active centers, i.e., AE metals's orbitals share electrons with their empty d orbitals, and then the partially occupied d orbitals exchange electrons with the σ and π* orbitals of N2.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/TA/D3TA07311D

Reference65 articles.

1. Ammonia synthesis by N 2 and steam electrolysis in molten hydroxide suspensions of nanoscale Fe 2 O 3

2. Ammonia Synthesis from First-Principles Calculations

3. Nitrogen fixation and reduction at boron

4. Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light

5. Molecular Orbital View of Chemisorbed Carbon Monoxide

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