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Scientific Reports, volume 4, issue 1, publication number 4797

Nitrogen concentration driving the hardness of rhenium nitrides

Zhonglong Zhao 1
Kuo Bao 1
Da Li 1
Defang Duan 1
Fubo Tian 1
Xilian Jin 1
CHANGBO CHEN 1
Xiaoli Huang 1
LIU Bingbing 1
Cui Tian 1
Publication typeJournal Article
Publication date2014-04-25
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor4.6
ISSN20452322, 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 Copy
Zhao Z. et al. Nitrogen concentration driving the hardness of rhenium nitrides // Scientific Reports. 2014. Vol. 4. No. 1. 4797
GOST all authors (up to 50) Copy
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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RIS Copy
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 00:00:00
PB - Springer Nature
IS - 1
VL - 4
PMID - 24762713
SN - 2045-2322
SN - 2045-2322
ER -
BibTex
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}
}
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