Identification of promising chemical systems for the synthesis of new materials structure types: An ab initio minimization data mining approach

Identification of promising chemical systems for the synthesis of new materials structure types: An ab initio minimization data mining approach

In this research we performed data exploring for binary compounds with elements from groups V, IV-VI, and III-VII, with the goal to identify chemical systems where the recently proposed “5-5” structure type might be experimentally accessible. Among others, TlF, SnO, SnS, SnSe, GeS, GeSe, PbO, PbS, Z...

Full description

Bibliographic Details
Main Authors: Dejan Zagorac, Johann Christian Schön, Martin Jansen
Format: Article
Language:English
Published: University of Novi Sad 2013-03-01
Series:Processing and Application of Ceramics
Subjects:
ab initio
data mining
binary compounds
5-5 structure type
Online Access:http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2019%2006.pdf

Internet

http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2019%2006.pdf

Similar Items