Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization-Reference-Cited by-同舟云学术

Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization

Published:2016-09-17 Issue:1-3 Volume:232 Page:91-105
ISSN:2196-7105
Container-title:Zeitschrift für Kristallographie - Crystalline Materials
language:en
Short-container-title:

Author:

Schöneich Michael¹,Hohmann Andrea¹,Schmidt Peer²,Pielnhofer Florian³,Bachhuber Frederik³,Weihrich Richard⁴,Osters Oliver⁵,Köpf Marianne⁵,Nilges Tom⁶

Affiliation:

1. BTU Cottbus-Senftenberg, Institut für Angewandte Chemie, Großenhainer Str. 57, 01968 Senftenberg, Germany

2. BTU Cottbus-Senftenberg, Institut für Angewandte Chemie, Großenhainer Str. 57, 01968 Senftenberg, Germany , Tel.: +49 3573 85827, Fax: +49 3573 85809

3. Universität Regensburg, Institut für Anorganische Chemie, Universitätsstr. 31, 93053 Regensburg, Germany

4. Universität Augsburg, Institut für Materials Ressource Management, Universitätsstr. 1, 86135 Augsburg, Germany , Tel.: +49 598 3132, Fax.: +49 821 598 2411

5. Technische Universität München, Department für Chemie, Lichtenbergstr. 4, 85748 Garching b. München, Germany

6. Technische Universität München, Department für Chemie, Lichtenbergstr. 4, 85748 Garching b. München, Germany , Tel.: +49 89 289 13110, Fax: +49 89 289 13762

Abstract

Abstract The application of the EnPhaSyn (theoretical Energy diagrams, experimental Phase formation, Synthesis and characterisation) concept is reviewed with respect to prediction of structures and stability of element allotropes and compound polymorphs, their phase formation and transition processes, and their directed synthesis, respectively. Therein, the relative energetical stability (En) of target compounds and possible decomposition are determined from quantum chemical DFT calculations. Phase formation and transition (Pha) is probed by a gas balance method, developed as high temperature gas balance concept. It helped to study the synthesis and stability range of several compounds experimentally. Applications of the concept and synthesis principles (Syn) of non-equilibrium phases are presented for allotropes of P, As, P1-xAsx, as well as binary and ternary compounds including the Zintl and Laves like phases IrPTe, NiP2, CoSbS, NiBiSe, Li0.2CdP2, Cu3CdCuP10, and Cd4Cu7As.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Link

https://www.degruyter.com/document/doi/10.1515/zkri-2016-1966/pdf

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