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Results for “N-S-Ti”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiS2N by Materials Project

STiNS is trigonal omega-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ammonia molecules and three TiS2 sheets oriented in the (0, 0, 1) direction. In each TiS2 sheet, Ti3+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Ti2SN2 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 Ti4S8N by Materials Project

(TiS2)8N2 is trigonal omega-derived structured and crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one ammonia molecule and two TiS2 sheets oriented in the (0, 0, 1) direction. In each TiS2 sheet, Ti+3.75+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.42 Å) and three longer (2.44 Å) Ti–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.75+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.75+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.75+ atoms. In the fourth S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.75+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Ti4S3N2 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↗