This title appears in the Scientific Report :
2019
Please use the identifier:
http://dx.doi.org/10.1021/acs.inorgchem.8b01950 in citations.
Please use the identifier: http://hdl.handle.net/2128/23665 in citations.
Controlled Crystal Growth of Indium Selenide, In 2 Se 3 , and the Crystal Structures of α-In 2 Se 3
Controlled Crystal Growth of Indium Selenide, In 2 Se 3 , and the Crystal Structures of α-In 2 Se 3
In2Se3 has been known for over 100 years and recently attracted interest as a promising candidate for a variety of applications, such as solar cells, photodiodes, and phase-change memories. Despite the broad concern for possible uses, its polymorphism and structure are poorly characterized. By combi...
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Personal Name(s): | Küpers, Michael |
---|---|
Konze, Philipp M. / Meledin, Alexander / Mayer, Joachim / Englert, Ulli / Wuttig, Matthias (Corresponding author) / Dronskowski, Richard | |
Contributing Institute: |
JARA - HPC; JARA-HPC JARA Institut Green IT; PGI-10 |
Published in: | Inorganic chemistry, 57 (2018) 18, S. 11775 - 11781 |
Imprint: |
Washington, DC
American Chemical Society
2018
|
PubMed ID: |
30153016 |
DOI: |
10.1021/acs.inorgchem.8b01950 |
Document Type: |
Journal Article |
Research Program: |
Quantum chemistry of functional chalcogenide for phase-change memories and other applications Controlling Electron Charge-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/23665 in citations.
In2Se3 has been known for over 100 years and recently attracted interest as a promising candidate for a variety of applications, such as solar cells, photodiodes, and phase-change memories. Despite the broad concern for possible uses, its polymorphism and structure are poorly characterized. By combining X-ray diffraction, transmission electron microscopy, and quantum-chemical calculations, we present here the crystal structures of two layered room-temperature polytypes: 3R and 2H In2Se3. Both polymorphs are stacking variants of the same Se–In–Se–In–Se layers comprising two coordination environments for the In atoms, one tetrahedral and one octahedral. By using chemical-bonding analysis, we look at the different In positions in α-In2Se3 and compare them to those in the metastable β-phase. |