A novel all-nitrogen molecular crystal N16 as a promising high-energy-density material

Author:

Zhao Lei12ORCID,Liu Shijie34ORCID,Chen Yuanzheng5,Yi Wencai6ORCID,Khodagholian Darlar2,Gu Fenglong7ORCID,Kelson Eric2,Zheng Yonghao8ORCID,Liu Bingbing4ORCID,Miao Mao-sheng2

Affiliation:

1. College of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, P. R. China

2. Department of Chemistry & Biochemistry, California State University Northridge, Northridge, CA, 91330, USA

3. School of Physics and Engineering, and Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471003, P. R. China

4. State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, P. R. China

5. School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu 610031, P. R. China

6. School of Physics and Physical Engineering, Qufu Normal University, Qufu, 273165, P. R. China

7. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006, P. R. China

8. School of Optoelectronic Science and Engineering, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, P. R. China

Abstract

A new all-nitrogen molecular crystal N16 with aromatic units, high molecular symmetry, and efficient crystal packing is predicted as a promising high-energy-density material that can be obtained under high pressure.

Funder

National Science Foundation

American Chemical Society Petroleum Research Fund

National Natural Science Foundation of China

China Postdoctoral Science Foundation

University of Electronic Science and Technology of China

National Key Research and Development Program of China

Southwest Petroleum University

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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