Degradation of Fatal Toxic Nerve Agents on Dry TiO<sub>2</sub>.

Tsyshevsky, Roman; McEntee, Monica; Durke, Erin M; Karwacki, Christopher; Kuklja, Maija M

Degradation of Fatal Toxic Nerve Agents on Dry TiO₂.

Tsyshevsky, Roman; McEntee, Monica; Durke, Erin M; Karwacki, Christopher; Kuklja, Maija M.

Afiliación

Tsyshevsky R; Materials Science and Engineering Department, University of Maryland, College Park, Maryland 20742, United States.
McEntee M; US Army Combat Capabilities Development Command Chemical Biological Center, 8198 Blackhawk Road, Aberdeen Proving Ground, Maryland 21010, United States.
Durke EM; US Army Combat Capabilities Development Command Chemical Biological Center, 8198 Blackhawk Road, Aberdeen Proving Ground, Maryland 21010, United States.
Karwacki C; US Army Combat Capabilities Development Command Chemical Biological Center, 8198 Blackhawk Road, Aberdeen Proving Ground, Maryland 21010, United States.
Kuklja MM; Materials Science and Engineering Department, University of Maryland, College Park, Maryland 20742, United States.

ACS Appl Mater Interfaces ; 13(1): 696-705, 2021 Jan 13.

Article en En | MEDLINE | ID: mdl-33350299

Asunto(s)

Agentes Nerviosos/química; Sarín/química; Titanio/química; Adsorción; Teoría Funcional de la Densidad; Modelos Químicos

Palabras clave

DFT modeling; IR spectroscopy; chemical adsorption; chemical warfare agent (CWA); decomposition reaction mechanisms; nanoparticles; periodic supercell quantum-chemical calculations; rutile and anatase phases of TiO2

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Sarín / Titanio / Agentes Nerviosos Idioma: En Revista: ACS Appl Mater Interfaces Asunto de la revista: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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