Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling

Modern heterogeneous catalysis has benefitted immensely from computational predictions of catalyst structure and its evolution under reaction conditions, first-principles mechanistic investigations, and detailed kinetic modeling, which are rungs on a multiscale workflow. Establishing connections acr...

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Detalles Bibliográficos
Autores principales: Rajan, Ajin, Pushkar, Anoop P., Dharmalingam, Balaji C., Varghese, Jithin John
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10285649/
https://www.ncbi.nlm.nih.gov/pubmed/37360694
http://dx.doi.org/10.1016/j.isci.2023.107029

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10285649/
https://www.ncbi.nlm.nih.gov/pubmed/37360694
http://dx.doi.org/10.1016/j.isci.2023.107029

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