2016
DOI: 10.1515/zkri-2016-1966
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Element allotropes and polyanion compounds of pnicogenes and chalcogenes: stability, mechanisms of formation, controlled synthesis and characterization

Abstract: The application of the EnPhaSyn (theoretical Energy diagrams, experimental Phase formation, Synthesis and characterisation) concept is reviewed with respect to prediction of structures and stability of element allotropes and compound polymorphs, their phase formation and transition processes, and their directed synthesis, respectively. Therein, the relative energetical stability (En) of target compounds and possible decomposition are determined from quantum chemical DFT calculations. Phase formation and transi… Show more

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Cited by 6 publications
(9 citation statements)
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“…14,15 We selected three polyphosphides, namely NaP 7 , SnIP (ranging from 1.71-1.86 eV) [16][17][18] and (CuI) 3 P 12 (2.84 eV, own measurement see below) because of their different band gaps and their ability to be synthesized in a mineralizer-assisted transport reaction. 19,20 NaP 7 , a 2 eVsemiconductor material, plays a crucial role in the sodication and desodication processes in sodium ion batteries. 18 SnIP represents the rst inorganic atomic-scale-double helix compound and (CuI) 3 P 12 is an adduct phase from CuI and a neutral phosphorus chain.…”
Section: Introductionmentioning
confidence: 99%
“…14,15 We selected three polyphosphides, namely NaP 7 , SnIP (ranging from 1.71-1.86 eV) [16][17][18] and (CuI) 3 P 12 (2.84 eV, own measurement see below) because of their different band gaps and their ability to be synthesized in a mineralizer-assisted transport reaction. 19,20 NaP 7 , a 2 eVsemiconductor material, plays a crucial role in the sodication and desodication processes in sodium ion batteries. 18 SnIP represents the rst inorganic atomic-scale-double helix compound and (CuI) 3 P 12 is an adduct phase from CuI and a neutral phosphorus chain.…”
Section: Introductionmentioning
confidence: 99%
“…The measurements on the HTGB were performed using the balance design described in ref , . Handmade silica glass ampoules with a length of about 11 cm and a volume of 16 mL were filled with 1 g of well‐mixed stoichiometric amounts of the elements or Zr 2 PTe 2 , evacuated and sealed under dynamic vacuum ( p ≤ 10 –5 bar).…”
Section: Methodsmentioning
confidence: 99%
“…In case of an evaporation, decomposition, or condensation, the shift of the center of gravity of the solid (placed on one side of the ampoule) and the vapor (distributed over the total length of the ampoule) changes the bearing‐strength, so that we can measure a signal (Δ m ) on the electronic balance. The concept of the HTGB is introduced in detail in ref , . and a discussion on the potential for analyzing phase formations is presented in ref , …”
Section: Introductionmentioning
confidence: 99%
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“…Phosphorus shows very rich allotropy, making it an exciting element from the point of view of fundamental structural chemistry as well as new materials. 1,2 The allotropes of phosphorus are divided in three main classes: white, black, and red phosphorus. White phosphorus is simply composed of P 4 molecules.…”
mentioning
confidence: 99%