TY  - JOUR
AU  - Küpers, Michael
AU  - Konze, Philipp M.
AU  - Meledin, Alexander
AU  - Mayer, Joachim
AU  - Englert, Ulli
AU  - Wuttig, Matthias
AU  - Dronskowski, Richard
TI  - Controlled Crystal Growth of Indium Selenide, In 2 Se 3 , and the Crystal Structures of α-In 2 Se 3
JO  - Inorganic chemistry
VL  - 57
IS  - 18
SN  - 1520-510X
CY  - Washington, DC
PB  - American Chemical Society
M1  - FZJ-2019-06548
SP  - 11775 - 11781
PY  - 2018
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - pmid:30153016
UR  - <Go to ISI:>//WOS:000445165400054
DO  - DOI:10.1021/acs.inorgchem.8b01950
UR  - https://juser.fz-juelich.de/record/867955
ER  -