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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SnO2 by Materials Project

SnO2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.15 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.15 Å. In the third Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are a spread of Sn–O bond distances ranging from 1.96–2.03 Å. In the fourth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with three SnO4 tetrahedra and edges with four SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.01–2.18 Å. In the fifth Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.15 Å. In the sixth Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are a spread of Sn–O bond distances ranging from 1.95–2.03 Å. In the seventh Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SnO4 tetrahedra and edges with two equivalent SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.03–2.16 Å. In the eighth Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Sn–O bond distances ranging from 1.95–2.03 Å. In the ninth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with three SnO4 tetrahedra and edges with four SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.01–2.17 Å. In the tenth Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–62°. There is two shorter (1.96 Å) and two longer (2.02 Å) Sn–O bond length. In the eleventh Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.15 Å. In the twelfth Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the seventeenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the eighteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnO2 by Materials Project

SnO2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share a cornercorner with one SnO4 tetrahedra, corners with two equivalent SnO4 trigonal pyramids, and edges with four SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.30 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share a cornercorner with one SnO4 trigonal pyramid and edges with five SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.03–2.33 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share a cornercorner with one SnO4 tetrahedra, corners with two equivalent SnO4 trigonal pyramids, and edges with four equivalent SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.29 Å. In the fourth Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are three shorter (2.06 Å) and three longer (2.19 Å) Sn–O bond lengths. In the fifth Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 58–68°. There are three shorter (2.05 Å) and one longer (2.10 Å) Sn–O bond lengths. In the sixth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO4 tetrahedra and edges with five SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.17 Å. In the seventh Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share a cornercorner with one SnO4 trigonal pyramid and edges with five SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.04–2.34 Å. In the eighth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO4 tetrahedra and edges with five SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.17 Å. In the ninth Sn4+ site, Sn4+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are a spread of Sn–O bond distances ranging from 2.01–2.03 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two Sn4+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn4+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four Sn4+ atoms. In the ninth O2- site, O2- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three Sn4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four Sn4+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the eighteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

SnO2 Buffer Layers for High Efficiency CdSeTe/CdTe Devices

SnO2 buffer layers of different thickness were deposited onto TEC 15 Fluorine doped tin oxide coated glass substrates using rf magnetron sputtering. The buffer layers were then incorporated into Cu-doped CdSeTe/CdTe devices using a range of CdCl 2 activation treatments and CuCl2 annealing temperatures to determine the effects of buffer layer thickness on device performance. Results show that all devices fabricated with thinner buffer layers resulted in much better J - V characteristics than their thicker counterparts. This was mainly due to a reduced open-circuit voltage (Voc) when using thicker buffer layers. The best device produced a conversion efficiency of 16.59%, fill factor of 71.62%, Jsc of 28.44 mA/cm 2 and Voc of 814.23 mV.

buffer layers↗
NASA NTRS1990

Surface defects and chemistry on the SnO2(110) surface

A variety of ultrahigh vacuum (UHV) surface science techniques have been used to characterize the structural, electronic and chemical properties of SnO2(110), a model catalytic surface. Two types of surface oxygen vacancies have been identified, each associated with different band gap (defect) electronic states. Adsorption experiments show that the interaction of simple gases with this surface occurs primarily through these oxygen vacancies and can show site-specificity to only one of the two types of vacancies.

Cox, David F.↗
NASA NTRS2004

LiCoO2 and SnO2 Thin Film Electrodes for Lithium-Ion Battery Applications

There is an increasing need for small dimension, ultra-lightweight, portable power supplies due to the miniaturization of consumer electronic devices. Rechargeable thin film lithium-ion batteries have the potential to fulfill the growing demands for micro-energy storage devices. However, rechargeable battery technology and fabrication processes have not kept paced with the advances made in device technology. Economical fabrication methods lending excellent microstructural and compositional control in the thin film battery electrodes have yet to be fully developed. In this study, spin coating has been used to demonstrate the flexibility of the approach to produce both anode (SnO2) and cathode (LiCoO2) thin films. Results on the microstructure crystal structure and electrochemical properties of the thin film electrodes are described and discussed.

Maranchi, Jeffrey P.↗
DOE OSTI2020

Materials Data on Ti(SnO2)2 by Materials Project

Sn2TiO4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There is two shorter (1.99 Å) and four longer (2.00 Å) Ti–O bond length. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.24 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ti4+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(SnO2)4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(SnO2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnO2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2022

Physical and Flow Properties of Glass Forming Chemicals (V2O5, SnO, SnO2, Cr2O3, FeCr2O4, and ZrSiO4) and Mixtures

For a sustainable nuclear waste vitrification process at the Hanford Tank Waste Treatment and Immobilization Plant (WTP), proper selection and consistent supply of glass-forming chemicals (GFCs) are crucial. Establishing rigorous acceptance criteria for the characterization of GFCs will be required to operate the vitrification facility and to mitigate any processing issues or failures. Low-activity wastes (LAW) are blended with GFCs to form slurry melter feeds and vitrified in a melter. To enhance properties of waste glasses, new chemicals are being introduced to the current GFC mixture (Vienna et al. 2016; Muller et al. 2017, 2019). In this study, three new GFCs were evaluated for enhanced LAW glass formulations: chromium oxide (Cr 2 O 3 ), vanadium oxide (V 2 O 5 ), and stannic oxide (SnO 2 ). These three oxide components are included in enhanced waste glass (EWG) formulations and GFCs with the appropriate physical and flow properties are needed. As a starting point, single metal oxide GFCs: Cr 2 O 3 , V 2 O 5 , and SnO 2 were sourced and tested. To characterize these new individual GFCs and mixtures of GFCs, the industrial bulk characterization consultant, Jenike and Johanson, was employed to measure physical and flow properties of individual GFCs and their mixtures. Pacific Northwest National Laboratory (PNNL) also measured several selected physical properties for data evaluation as a quality assurance step. In addition, PNNL measured physical and rheological properties of slurry melter feeds containing those GFCs. Subsequent data analyses and verification were conducted. The purpose of this report is to assess the applicability of these GFCs for LAW vitrification based on their properties. This report will help understand measured data and evaluate new GFCs for use. Moreover, this report may give useful insights to help troubleshoot any GFC and melter feed transport and mixing issues that arise during processing, leading to a successful cleanup mission at WTP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1993

Electrically Conductive Polyimide Films

Semiconducting surfaces of SnO2 formed by curing polyamic acids containing tin complexes. Polyimide films made semiconductive via incorporation of semiconductive surface layers of SnO2. If SnO2-surfaced polyimide film used as free-standing film, then semiconductive layer protected by top coat of polyimide, deposited as film from solution directly onto SnO2. Resultant films flexible and resistant to both weather and high temperature. Used on aircraft to provide resistance to lightning strikes, and in microelectronics and flexible circuitry.

St. Clair, Anne K.↗
NASA NTRS2007

The Application of Metal Oxide Nanomaterials for Chemical Sensor Development

NASA Glenn Research Center (GRC) has been developing miniature chemical sensors for a variety of applications including fire detection, emissions monitoring, fuel leak detection, and environmental monitoring. Smart Lick and Stick sensor technology which integrates a sensor array, electronics, telemetry, and power into one microsystem are being developed. These microsystems require low power consumption for long-term aerospace applications. One approach to decreasing power consumption is the use of nanotechnology. Nanocrystalline tin oxide (SnO2) carbon monoxide (CO) sensors developed previously by this group have been successfully used for fire detection and emissions monitoring. This presentation will briefly review the overall NASA GRC chemical sensor program and discuss our further effort in nanotechnology applications. New carbon dioxide (CO2) sensing material using doped nanocrystalline SnO2 will be discussed. Nanocrystalline SnO2 coated solid electrolyte CO2 sensors and SnO2 nanorod and nanofiber hydrogen (H2) sensors operated at reduced or room temperatures will also be discussed.

Xu, Jennifer C.↗