Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: a DFT study-Reference-Cited by-同舟云学术

Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: a DFT study

Published:2019 Issue:9 Volume:7 Page:4771-4776
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Liu Chuangwei¹²³⁴⁵,Li Qinye⁶⁷⁸⁹,Zhang Jie⁵¹⁰⁷⁸⁹^ORCID,Jin Yonggang¹¹⁹,MacFarlane Douglas R.⁵¹⁰⁷⁸⁹^ORCID,Sun Chenghua¹²³⁴¹²^ORCID

Affiliation:

1. Science & Technology Innovation Institute

2. Dongguan University of Technology

3. Dongguan

4. China

5. School of Chemistry

6. School of Chemical Engineering

7. Monash University

8. Clayton

9. Australia

10. Faculty of Science

11. CSIRO Energy

12. Department of Chemistry and Biotechnology

Abstract

By first-principles computations, nitrogen becomes activated via distal pathway on the single Ru-atom-embedded two boron monolayers, exhibiting relatively low reaction energy barriers of 0.42 and 0.44 eV, respectively.

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/TA/C8TA08219G

Reference65 articles.

1. How a century of ammonia synthesis changed the world

2. Ammonia for hydrogen storage: challenges and opportunities

3. Catalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis Catalysts

4. Dinitrogen Coordination Chemistry: On the Biomimetic Borderlands

5. Recent developments in the homogeneous reduction of dinitrogen by molybdenum and iron

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