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  1. Article: Spectroscopic studies of methyl paraoxon decomposition over mesoporous Ce-doped titanias for toxic chemical filtration

    Leonard, Matthew B. / Li, Tianyu / Kramer, Morgan J. / McDonnell, Shannon M. / Vedernikov, Andrei N. / Rodriguez, Efrain E.

    Journal of hazardous materials. 2022 Sept. 15, v. 438

    2022  

    Abstract: The ever-constant threat of chemical warfare agents (CWA) motivates the design of materials to provide better protection to warfighters and civilians. Cerium and titanium oxide are known to react with organophosphorus compounds such Sarin and Soman. To ... ...

    Abstract The ever-constant threat of chemical warfare agents (CWA) motivates the design of materials to provide better protection to warfighters and civilians. Cerium and titanium oxide are known to react with organophosphorus compounds such Sarin and Soman. To study the decomposition of methyl paraoxon (CWA simulant) on such materials, we synthesized ordered mesoporous metal oxides (MMO) TiO₂, CeₓTi₁₋ₓO₂ (x = 0.005, 0.5, 0.10, 0.15) and CeO₂. We fully characterized TiO₂ and Ce-doped TiO₂ and found phase-pure oxides with cylindrical hexagonally packed pores and high surface areas (176–252 m²/g). Methyl paraoxon decomposition was tracked through UV/Vis and found Ce₀.₁₅Ti₀.₈₅O₂ to decompose the most methyl paraoxon, but CeO₂ to be the most reactive when normalized to surface area. The surface area normalized rate constant (kSA) for CeO₂ was 3–4.6 times larger than that of TiO₂ and the CeₓTi₁₋ₓO₂ series. While TiO₂ and CeₓTi₁₋ₓO₂ for 0.05 ≤ x ≤ 0.10 displayed no significant differences in the kinetics, the mostly amorphous Ce₀.₁₅Ti₀.₈₅O₂ displayed a slight increase in reactivity. Our findings indicate that the nature of the cation, Ce⁴⁺ vs Ti⁴⁺, is less important to methyl paraoxon reactivity on these MMOs compared to other factors such as crystal structure type.
    Keywords cations ; cerium ; crystal structure ; filtration ; nerve agents ; paraoxon ; porous media ; surface area ; titanium dioxide
    Language English
    Dates of publication 2022-0915
    Publishing place Elsevier B.V.
    Document type Article
    ZDB-ID 1491302-1
    ISSN 1873-3336 ; 0304-3894
    ISSN (online) 1873-3336
    ISSN 0304-3894
    DOI 10.1016/j.jhazmat.2022.129536
    Database NAL-Catalogue (AGRICOLA)

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  2. Book ; Online: Bulk synthesis of Zn$_3$WN$_4$ via solid-state metathesis

    Rom, Christopher L. / O'Donnell, Shaun / Huang, Kayla / Klein, Ryan A. / Kramer, Morgan J. / Smaha, Rebecca W. / Zakutayev, Andriy

    2024  

    Abstract: Ternary nitrides are of growing technological importance, with applications as semiconductors, catalysts, and magnetic materials; however, new synthetic tools are needed to advance materials discovery efforts. Here, we show that Zn$_3$WN$_4$ can be ... ...

    Abstract Ternary nitrides are of growing technological importance, with applications as semiconductors, catalysts, and magnetic materials; however, new synthetic tools are needed to advance materials discovery efforts. Here, we show that Zn$_3$WN$_4$ can be synthesized via metathesis reactions between Li$_6$WN$_4$ and Zn$X_2$ ($X$ = Br, Cl, F). In situ synchrotron powder X-ray diffraction and differential scanning calorimetry show that the reaction onset is correlated with the Zn$X_2$ melting point and that product purity is inversely correlated with the reaction's exothermicity. High resolution synchrotron powder X-ray diffraction measurements show that this bulk synthesis produces a structure with substantial cation ordering, as opposed to the disordered structure initially discovered via thin film sputtering. Diffuse reflectance spectroscopy reveals that Zn$_3$WN$_4$ powders exhibit two optical absorption onsets at 2.5 eV and 4.0 eV, indicating wide-bandgap semiconducting behavior and suggesting a small amount of structural disorder. We hypothesize that this synthesis strategy is generalizable because many potential Li-$M$-N precursors (where $M$ is a metal) are available for synthesizing new ternary nitride materials. This work introduces a promising synthesis strategy that will accelerate the discovery of novel functional ternary nitrides and other currently inaccessible materials.
    Keywords Condensed Matter - Materials Science
    Subject code 540
    Publishing date 2024-01-03
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Spectroscopic studies of methyl paraoxon decomposition over mesoporous Ce-doped titanias for toxic chemical filtration.

    Leonard, Matthew B / Li, Tianyu / Kramer, Morgan J / McDonnell, Shannon M / Vedernikov, Andrei N / Rodriguez, Efrain E

    Journal of hazardous materials

    2022  Volume 438, Page(s) 129536

    Abstract: The ever-constant threat of chemical warfare agents (CWA) motivates the design of materials to provide better protection to warfighters and civilians. Cerium and titanium oxide are known to react with organophosphorus compounds such Sarin and Soman. To ... ...

    Abstract The ever-constant threat of chemical warfare agents (CWA) motivates the design of materials to provide better protection to warfighters and civilians. Cerium and titanium oxide are known to react with organophosphorus compounds such Sarin and Soman. To study the decomposition of methyl paraoxon (CWA simulant) on such materials, we synthesized ordered mesoporous metal oxides (MMO) TiO
    MeSH term(s) Catalysis ; Cerium/chemistry ; Chemical Warfare Agents ; Oxides ; Paraoxon/analogs & derivatives ; Titanium/chemistry
    Chemical Substances Chemical Warfare Agents ; Oxides ; titanium dioxide (15FIX9V2JP) ; Cerium (30K4522N6T) ; Titanium (D1JT611TNE) ; Paraoxon (Q9CX8P80JW) ; methylparaoxon (UE1A2XL95H)
    Language English
    Publishing date 2022-07-06
    Publishing country Netherlands
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1491302-1
    ISSN 1873-3336 ; 0304-3894
    ISSN (online) 1873-3336
    ISSN 0304-3894
    DOI 10.1016/j.jhazmat.2022.129536
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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