Open Access
Scientific Reports, volume 4, issue 1, publication number 4797
Nitrogen concentration driving the hardness of rhenium nitrides
Publication type: Journal Article
Publication date: 2014-04-25
Journal:
Scientific Reports
Quartile SCImago
Q1
Quartile WOS
Q1
SJR: 0.900
CiteScore: 7.5
Impact factor: 3.8
ISSN: 20452322
PubMed ID:
24762713
Multidisciplinary
Abstract
The structures and properties of rhenium nitrides are studied with density function based first principle method. New candidate ground states or high-pressure phases at Re:N ratios of 3:2, 1:3, and 1:4 are identified via a series of evolutionary structure searches. We find that the 3D polyhedral stacking with strong covalent N-N and Re-N bonding could stabilize Re nitrides to form nitrogen rich phases, meanwhile, remarkably improve the mechanical performance than that of sub-nitrides, as Re3N, Re2N, and Re3N2. By evaluating the trends of the crystal configuration, electronic structure, elastic properties, and hardness as a function of the N concentration, we proves that the N content is the key factor affecting the metallicity and hardness of Re nitrides.
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GOST
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Zhao Z. et al. Nitrogen concentration driving the hardness of rhenium nitrides // Scientific Reports. 2014. Vol. 4. No. 1. 4797
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Zhao Z., Bao K., Li D., Duan D., Tian F., Jin X., CHEN C., Huang X., Bingbing L., Tian C. Nitrogen concentration driving the hardness of rhenium nitrides // Scientific Reports. 2014. Vol. 4. No. 1. 4797
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TY - JOUR
DO - 10.1038/srep04797
UR - https://doi.org/10.1038/srep04797
TI - Nitrogen concentration driving the hardness of rhenium nitrides
T2 - Scientific Reports
AU - Zhao, Zhonglong
AU - Bao, Kuo
AU - Li, Da
AU - Duan, Defang
AU - Tian, Fubo
AU - Jin, Xilian
AU - CHEN, CHANGBO
AU - Huang, Xiaoli
AU - Bingbing, LIU
AU - Tian, Cui
PY - 2014
DA - 2014/04/25
PB - Springer Nature
IS - 1
VL - 4
PMID - 24762713
SN - 2045-2322
ER -
Cite this
BibTex
Copy
@article{2014_Zhao,
author = {Zhonglong Zhao and Kuo Bao and Da Li and Defang Duan and Fubo Tian and Xilian Jin and CHANGBO CHEN and Xiaoli Huang and LIU Bingbing and Cui Tian},
title = {Nitrogen concentration driving the hardness of rhenium nitrides},
journal = {Scientific Reports},
year = {2014},
volume = {4},
publisher = {Springer Nature},
month = {apr},
url = {https://doi.org/10.1038/srep04797},
number = {1},
doi = {10.1038/srep04797}
}