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000837941 1001_ $$00000-0002-8295-614X$$aKüpers, Michael$$b0
000837941 245__ $$aUnexpected Ge-Ge Contacts in the Two-Dimensional Ge 4 Se 3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function
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000837941 520__ $$aA hexagonal phase in the ternary Ge–Se–Te system with an approximate composition of GeSe0.75Te0.25 has been known since the 1960s but its structure has remained unknown. We have succeeded in growing single crystals by chemical transport as a prerequisite to solve and refine the Ge4Se3Te structure. It consists of layers that are held together by van der Waals type weak chalcogenide–chalcogenide interactions but also display unexpected Ge–Ge contacts, as confirmed by electron microscopy analysis. The nature of the electronic structure of Ge4Se3Te was characterized by chemical bonding analysis, in particular by the newly introduced density of energy (DOE) function. The Ge–Ge bonding interactions serve to hold electrons that would otherwise go into antibonding Ge–Te contacts.
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000837941 536__ $$0G:(DE-Juel1)jara0033_20161101$$aQuantum chemistry of chalcogenide nanocrystals for phase-change memories and other applications (jara0033_20161101)$$cjara0033_20161101$$fQuantum chemistry of chalcogenide nanocrystals for phase-change memories and other applications$$x1
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000837941 7001_ $$00000-0002-7946-702X$$aKonze, Philipp M.$$b1
000837941 7001_ $$0P:(DE-HGF)0$$aMaintz, Stefan$$b2
000837941 7001_ $$0P:(DE-HGF)0$$aSteinberg, Simon$$b3
000837941 7001_ $$0P:(DE-HGF)0$$aMio, Antonio M.$$b4
000837941 7001_ $$0P:(DE-HGF)0$$aCojocaru-Mirédin, Oana$$b5
000837941 7001_ $$0P:(DE-HGF)0$$aZhu, Min$$b6
000837941 7001_ $$0P:(DE-HGF)0$$aMüller, Merlin$$b7
000837941 7001_ $$0P:(DE-Juel1)130811$$aLuysberg, Martina$$b8
000837941 7001_ $$0P:(DE-Juel1)130824$$aMayer, Joachim$$b9
000837941 7001_ $$00000-0003-1498-1025$$aWuttig, Matthias$$b10
000837941 7001_ $$0P:(DE-HGF)0$$aDronskowski, Richard$$b11$$eCorresponding author
000837941 773__ $$0PERI:(DE-600)2011836-3$$a10.1002/anie.201612121$$gVol. 56, no. 34, p. 10204 - 10208$$n34$$p10204 - 10208$$tAngewandte Chemie / International edition$$v56$$x1433-7851$$y2017
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