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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HgBr2 by Materials Project

HgBr2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBr2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six Br1- atoms to form distorted edge-sharing HgBr6 octahedra. There are a spread of Hg–Br bond distances ranging from 2.48–3.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgBr2 by Materials Project

HgBr2 is trigonal omega-like structured and crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one HgBr2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.81 Å) and three longer (2.94 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.86 Å) and three longer (2.89 Å) Hg–Br bond lengths. In the third Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.82 Å) and three longer (2.93 Å) Hg–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three Hg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3As8(S4Br3)2 by Materials Project

(HgBr2)2HgAs8(S4Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four mercuric bromide molecules and two HgAs8(S4Br)2 clusters. In each HgAs8(S4Br)2 cluster, Hg2+ is bonded in a distorted linear geometry to four S2- and two equivalent Br1- atoms. There are two shorter (3.29 Å) and two longer (3.35 Å) Hg–S bond lengths. Both Hg–Br bond lengths are 2.50 Å. There are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.27 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.26 Å. In the third As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. Both As–S bond lengths are 2.26 Å. In the fourth As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Hg2+ and two As2+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Hg2+ and two As2+ atoms. Br1- is bonded in a single-bond geometry to one Hg2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Brewster angle-cavity ringdown spectroscopy for low temperature plasma measurements in multiphases

Here we report on the development of a Brewster angle-cavity ringdown spectroscopy (BA-CRDS) system for low temperature plasma diagnostics. The system can measure gas species in solutions, with a detection limit (minimum detectable absorbance) of 9.1 × 10 -5 , which is equivalent to a detection limit of 0.04 parts per billion for measuring OH radicals in water at 308 nm. With higher reflectivity ringdown mirrors and improved design of a Brewster angle cell, the detection limit can potentially be up to 10 -6 or lower. In this exploratory study, the absorption cross sections of HgBr 2 and H 2 O 2 in the aqueous phase at 256 nm are measured to be (1.8 ± 0.1) × 10 -18 cm 2 and (5.2 ± 0.5) × 10 -20 cm 2 , respectively. Furthermore, temporal profiles of absorbance from distilled water, HgBr 2 , and H 2 O 2 solutions when interacting with a helium atmospheric plasma jet are individually characterized at different plasma powers, gas flow rates, and/or solute concentrations. The observed linear temporal profiles of absorbance from the plasma-interacted water suggest formation of H 2 O 2 from plasma-generated OH radicals, while the nonlinear temporal profiles from the plasma-treated HgBr 2 solutions reveal possible removal of HgBr 2 by OH radicals. Our results demonstrate that the new BA-CRDS system is a powerful tool for quantification of reactive plasma species in multiphases or other complex settings.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗