Novel nitrogen-rich lanthanum nitrides induced by the ligand effect under pressure-Reference-Cited by-同舟云学术

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Novel nitrogen-rich lanthanum nitrides induced by the ligand effect under pressure

Published:2023 Issue:39 Volume:52 Page:14142-14150
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Jin Bo¹,Liu Yuanyuan¹,Yao Zhen¹^ORCID,Liu Shuang¹,Wang Peng¹^ORCID

Affiliation:

1. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, P.R. China

Abstract

Unique tri-coordinated atoms with alternate sp2 and sp3 hybridizations are formed in the N18 ring of LaN8. The ligand effect of the introduced La atom on the N10 cage induces the structural evolution from I4̄3m-N10 to Imm2-LaN10.

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/DT/D3DT01724A

Reference62 articles.

1. Prediction of New Phases of Nitrogen at High Pressure from First-Principles Simulations

2. Structural stability of polymeric nitrogen: A first-principles investigation

3. First-principles calculations on solid nitrogen: A comparative study of high-pressure phases

4. High-pressure atomic phases of solid nitrogen

5. Layered single-bonded nonmolecular phase of nitrogen from first-principles simulation

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