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ChemInform Abstract: Prediction and Synthesis of a Non-Zintl Silicon Clathrate

Authors :
Tiago F. T. Cerqueira
Valentina M. Giordano
Jingming Shi
Stéphane Pailhès
Silvana Botti
Romain Viennois
Régis Debord
Miguel A. L. Marques
Source :
ChemInform. 47
Publication Year :
2016
Publisher :
Wiley, 2016.

Abstract

High-throughput DFT calculations are used to predict the thermodynamic stability of ternary type I Si clathrates.

Details

ISSN :
09317597
Volume :
47
Database :
OpenAIRE
Journal :
ChemInform
Accession number :
edsair.doi...........9f2f7ddddaeb50d7ba0347449ae1aa7a
Full Text :
https://doi.org/10.1002/chin.201634001