Physical Chemistry Chemical Physics, volume 21, issue 21, pages 10961-10969

Relative stability of diamond and graphite as seen through bonds and hybridizations

Popov Ilya V 1, 2
Görne Arno L 3
Tchougréeff Andrei L. 1, 2, 3
3
 
Chair of Solid State and Quantum Chemistry, RWTH Aachen University, 52056 Aachen, Germany
4
 
Jülich–Aachen Research Alliance, JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
Publication typeJournal Article
Publication date2019-05-20
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor3.3
ISSN14639076, 14639084
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract

We propose a semi-quantitative quantum-chemical model correctly ranking the ubiquitous carbon allotropes diamond and graphite in terms of energy despite their drastic structural differences.

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GOST Copy
Popov I. V. et al. Relative stability of diamond and graphite as seen through bonds and hybridizations // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 21. pp. 10961-10969.
GOST all authors (up to 50) Copy
Popov I. V., Görne A. L., Tchougréeff A. L., Dronskowski R. Relative stability of diamond and graphite as seen through bonds and hybridizations // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 21. pp. 10961-10969.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1039/c8cp07592a
UR - https://doi.org/10.1039%2Fc8cp07592a
TI - Relative stability of diamond and graphite as seen through bonds and hybridizations
T2 - Physical Chemistry Chemical Physics
AU - Popov, Ilya V
AU - Görne, Arno L
AU - Tchougréeff, Andrei L.
AU - Dronskowski, Richard
PY - 2019
DA - 2019/05/20 00:00:00
PB - Royal Society of Chemistry (RSC)
SP - 10961-10969
IS - 21
VL - 21
SN - 1463-9076
SN - 1463-9084
ER -
BibTex |
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BibTex Copy
@article{2019_Popov,
author = {Ilya V Popov and Arno L Görne and Andrei L. Tchougréeff and Richard Dronskowski},
title = {Relative stability of diamond and graphite as seen through bonds and hybridizations},
journal = {Physical Chemistry Chemical Physics},
year = {2019},
volume = {21},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://doi.org/10.1039%2Fc8cp07592a},
number = {21},
pages = {10961--10969},
doi = {10.1039/c8cp07592a}
}
MLA
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MLA Copy
Popov, Ilya V., et al. “Relative stability of diamond and graphite as seen through bonds and hybridizations.” Physical Chemistry Chemical Physics, vol. 21, no. 21, May. 2019, pp. 10961-10969. https://doi.org/10.1039%2Fc8cp07592a.
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