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000867955 0247_ $$2doi$$a10.1021/acs.inorgchem.8b01950
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000867955 1001_ $$0P:(DE-Juel1)177898$$aKüpers, Michael$$b0$$ufzj
000867955 245__ $$aControlled Crystal Growth of Indium Selenide, In 2 Se 3 , and the Crystal Structures of α-In 2 Se 3
000867955 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2018
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000867955 520__ $$aIn2Se3 has been known for over 100 years and recently attracted interest as a promising candidate for a variety of applications, such as solar cells, photodiodes, and phase-change memories. Despite the broad concern for possible uses, its polymorphism and structure are poorly characterized. By combining X-ray diffraction, transmission electron microscopy, and quantum-chemical calculations, we present here the crystal structures of two layered room-temperature polytypes: 3R and 2H In2Se3. Both polymorphs are stacking variants of the same Se–In–Se–In–Se layers comprising two coordination environments for the In atoms, one tetrahedral and one octahedral. By using chemical-bonding analysis, we look at the different In positions in α-In2Se3 and compare them to those in the metastable β-phase.
000867955 536__ $$0G:(DE-HGF)POF3-521$$a521 - Controlling Electron Charge-Based Phenomena (POF3-521)$$cPOF3-521$$fPOF III$$x0
000867955 536__ $$0G:(DE-Juel1)jara0033_20171101$$aQuantum chemistry of functional chalcogenide for phase-change memories and other applications (jara0033_20171101)$$cjara0033_20171101$$fQuantum chemistry of functional chalcogenide for phase-change memories and other applications$$x1
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000867955 7001_ $$00000-0002-7946-702X$$aKonze, Philipp M.$$b1
000867955 7001_ $$0P:(DE-Juel1)173622$$aMeledin, Alexander$$b2$$ufzj
000867955 7001_ $$0P:(DE-Juel1)130824$$aMayer, Joachim$$b3
000867955 7001_ $$00000-0002-2623-0061$$aEnglert, Ulli$$b4
000867955 7001_ $$0P:(DE-Juel1)176716$$aWuttig, Matthias$$b5$$eCorresponding author
000867955 7001_ $$00000-0002-1925-9624$$aDronskowski, Richard$$b6
000867955 773__ $$0PERI:(DE-600)1484438-2$$a10.1021/acs.inorgchem.8b01950$$gVol. 57, no. 18, p. 11775 - 11781$$n18$$p11775 - 11781$$tInorganic chemistry$$v57$$x1520-510X$$y2018
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