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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PbSeO3 by Materials Project

PbSeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–3.13 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbSeO3 by Materials Project

PbSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.57–3.11 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–3.18 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nucleation and growth of PbSeO 3 , Pb 3 (CO 3 ) 2 (OH) 2 , and Se on the PbSe surfaces by decomposing PbSe in water

PbSe materials are widely researched and utilized in visible-infrared photodetectors, displays, transistors, thermoelectric devices, and photovoltaics. However, the instability of PbSe limits practical utilization. The decomposition mechanisms of PbSe needs to be clarified for guiding targeted design to improve its stability. Here, we studied the decomposition process of PbSe in water, which is exposed to air, by using ex-situ and semi in situ transmission electron microscope (TEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), and electron tomography reconstruction (ETR). We found that, besides water molecules, PbSe particles also react with O 2 and CO 2 that are adsorbed in water from air. Pd 3 (CO 3 ) 2 (OH) 2 , PbSeO 3 , and Se nucleate and grow on the surface of PbSe powders. This work provides understanding of the mechanism of materials nucleation, growth, and decomposition. Furthermore, the findings can be used as a reference to improve the stability and lifetime of PbSe devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗