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Synthesis, Structure, and Properties of NaP 7 , a Phosphorus‐rich Polyphosphide
Author(s) -
Grotz Carolin,
Köpf Marianne,
Baumgartner Maximilian,
Jantke LauraAlice,
RaudaschlSieber Gabriele,
Fässler Thomas F.,
Nilges Tom
Publication year - 2015
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201400580
Subject(s) - nap , substructure , phosphorus , crystal structure , sodium , materials science , band gap , semiconductor , ion , crystallography , x ray photoelectron spectroscopy , chemistry , inorganic chemistry , optoelectronics , chemical engineering , organic chemistry , metallurgy , structural engineering , neuroscience , engineering , biology
NaP 7 is a phosphorus‐rich polyphosphide featuring a helical polyphosphide substructure. It can be prepared from the elements as well as via short way transport using CuI as mineralizer additive. As a potential intermediate compound during the reaction of phosphorus with sodium in sodium ion batteries, we investigated the structural and physical properties of this polyphosphide in detail. X‐ray single crystal and powder data were collected and the structure was re‐determined. Thermal properties were measured and the electronic structure was calculated using DFT methods. NaP 7 is a semiconductor featuring a bandgap in the visible light region.