Schoeneich, Michael and Hohmann, Andrea and Schmidt, Peer and Pielnhofer, Florian and Bachhuber, Frederik and Weihrich, Richard and Osters, Oliver and Koepf, Marianne and Nilges, Tom (2017) Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization. ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 232 (1-3). pp. 91-105. ISSN 2194-4946, 2196-7105
Full text not available from this repository. (Request a copy)Abstract
The application of the EnPhaSyn (theoretical Energy diagrams, experimental Phase formation, Syn-thesis and characterisation) concept is reviewed with respect to prediction of structures and stability of ele-ment allotropes and compound polymorphs, their phase formation and transition processes, and their directed synthesis, respectively. Therein, the relative energeti-cal 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 synthe-sis and stability range of several compounds experimentally. Applications of the concept and synthesis principles (Syn) of non-equilibrium phases are pre-sented for allotropes of P, As, P1-x As (x), as well as binaryand ternary compounds including the Zintl and Laves like phases IrPTe, NiP 2, CoSbS, NiBiSe, Li (0.2) CdP (2), Cu3Cd-CuP10, and Cd (4) Cu (7) As.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | PHOSPHORUS SINGLE-CRYSTALS; AMORPHOUS RED PHOSPHORUS; BLACK PHOSPHORUS; ELECTRONIC-STRUCTURE; PHASE STABILITIES; WHITE PHOSPHORUS; LAVES PHASE; PRESSURE; NANOTUBES; TRANSPORT; arsenic; DFT; energy diagram; high-temper-ature; gas-balance; laves phase; phase formation; pho-sphorus; polymorph structures; pyrite; stability; structure; prediction |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:01 |
| Last Modified: | 19 Feb 2019 14:37 |
| URI: | https://pred.uni-regensburg.de/id/eprint/460 |
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