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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on In2S3 by Materials Project

In2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. In3+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing InS6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.60 Å) and three longer (2.73 Å) In–S bond lengths. S2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing SIn4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2S3 by Materials Project

In2S3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.42–2.54 Å. In the second In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.42–2.55 Å. In the third In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.42–2.55 Å. In the fourth In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.42–2.54 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two In3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two In3+ atoms. In the sixth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Microwave-Assisted Solution Synthesis of Metastable Intergrowth of AgInS2 Polymorphs

The intergrowth of stable and metastable AgInS2 polymorphs was synthesized using a microwave-assisted synthesis. The samples were synthesized in water and in a deep eutectic solvent (DES) consisting of choline chloride and thiourea. An increase in the metal precursor concentration improved the crystallinity of the synthesized samples and affected the particle size. AgInS2 cannot be synthesized from crystalline binary Ag2S or In2S3 via this route. The solution synthesis reported here results in the intergrowth of the thermodynamically stable polymorph (space group I4¯2d, chalcopyrite structure) and the high-temperature polymorph (space group Pna21, wurtzite-like structure) that is metastable at room temperature. A scanning transmission microscopy (STEM) study revealed the intergrowth of tetragonal and orthorhombic polymorphs in a single particle and unambiguously established that the long-thought hexagonal wurtzite polymorph has pseudo-hexagonal symmetry and is best described with the orthorhombic unit cell. The solution-synthesized AgInS2 polymorphs intergrowth has slightly lower bandgap values in the range of 1.73 eV–1.91 eV compared to the previously reported values for tetragonal I4¯2d (1.86 eV) and orthorhombic Pna21 (1.98 eV) polymorphs.

Adeyemi, Adedoyin N. (ORCID:0000000340096150)↗
NASA NTRS1972

Study of sulfospinels

Several new compounds with the formula AB2S4 were synthesized. Pressure-induced polymorphism of the sulfospinels was investigated. Sulfospinels which produced new high-pressure phases were NiRh2S4, FeYb2S4, In2S3, CrIn2S4, NiIn2S4, CoIn2S4 and MnIn2S4. The only sulfospinels which transformed to the NiAs derivatives were those in which A and B atoms had unfilled d-orbitals. P-T phase relations were investigated for a series of sulfochromites. Thin films of several ACr2S4 sulfospinels were prepared by a flash evaporization technique on the (111) and (100) planes of NaCl and on the (100) plane of Mgo.

Tressler, R. E.↗
NASA NTRS2005

Synthesis, Characterization and Decomposition Studies of Tris(N,N-dibenzyldithiocarbamato) Indium(III): Chemical Spray Deposition of Polycrystalline CuInS2 on Copper Films

Tris(bis(phenylmethyl)carbamodithioato-S,S ), commonly referred to as tris(N,Ndibenzyldithiocarbamato) indium(III), In(S2CNBz2)3, was synthesized and characterized by single crystal X-ray crystallography. The compound crystallizes in the triclinic space group P1 bar with two molecules per unit cell. The material was further characterized using a novel analytical system employing the combined powers of thermogravimetric analysis, gas chromatography/mass spectrometry and Fourier-Transform infrared spectroscopy to investigate its potential use as a precursor for the chemical vapor deposition (CVD) of thin film materials for photovoltaic applications. Upon heating, the material thermally decomposes to release CS2 and benzyl moieties in to the gas phase, resulting in bulk In2S3. Preliminary spray CVD experiments indicate that In(S2CNBz2)3 decomposed on a Cu substrate reacts to produce stoichiometric CuInS2 films.

Hehemann, David G.↗
NASA NTRS2009

Synthesis, Characterization, and Processing of Copper, Indium, and Gallium Dithiocarbamates for Energy Conversion Applications

Ten dithiocarbamate complexes of indium(III) and gallium(III) have been prepared and characterized by elemental analysis, infrared spectra and melting point. Each complex was decomposed thermally and its decomposition products separated and identified with the combination of gas chromatography/mass spectrometry. Their potential utility as photovoltaic materials precursors was assessed. Bis(dibenzyldithiocarbamato)- and bis(diethyldithiocarbamato)copper(II), Cu(S2CN(CH2C6H5)2)2 and Cu(S2CN(C2H5)2)2 respectively, have also been examined for their suitability as precursors for copper sulfides for the fabrication of photovoltaic materials. Each complex was decomposed thermally and the products analyzed by GC/MS, TGA and FTIR. The dibenzyl derivative complex decomposed at a lower temperature (225-320 C) to yield CuS as the product. The diethyl derivative complex decomposed at a higher temperature (260-325 C) to yield Cu2S. No Cu containing fragments were noted in the mass spectra. Unusual recombination fragments were observed in the mass spectra of the diethyl derivative. Tris(bis(phenylmethyl)carbamodithioato-S,S'), commonly referred to as tris(N,N-dibenzyldithiocarbamato)indium(III), In(S2CNBz2)3, was synthesized and characterized by single crystal X-ray crystallography. The compound crystallizes in the triclinic space group P1(bar) with two molecules per unit cell. The material was further characterized using a novel analytical system employing the combined powers of thermogravimetric analysis, gas chromatography/mass spectrometry, and Fourier transform infrared (FT-IR) spectroscopy to investigate its potential use as a precursor for the chemical vapor deposition (CVD) of thin film materials for photovoltaic applications. Upon heating, the material thermally decomposes to release CS2 and benzyl moieties in to the gas phase, resulting in bulk In2S3. Preliminary spray CVD experiments indicate that In(S2CNBz2)3 decomposed on a Cu substrate reacts to produce stoichiometric CuInS2 films.

Duraj, S. A.↗