Relative stability of diamond and graphite as seen through bonds and hybridizations-Reference-Cited by-同舟云学术

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

Published:2019 Issue:21 Volume:21 Page:10961-10969
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Popov Ilya V.¹²³⁴²,Görne Arno L.⁵⁶⁷⁸,Tchougréeff Andrei L.¹²³⁴²^ORCID,Dronskowski Richard⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Science

2. Moscow

3. Russia

4. Independent University of Moscow

5. Chair of Solid State and Quantum Chemistry

6. RWTH Aachen University

7. 52056 Aachen

8. Germany

9. Jülich–Aachen Research Alliance

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.

Funder

Volkswagen Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07592A

Reference83 articles.

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