Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

[Image: see text] The adsorption energy of a molecule onto the surface of a material underpins a wide array of applications, spanning heterogeneous catalysis, gas storage, and many more. It is the key quantity where experimental measurements and theoretical calculations meet, with agreement being ne...

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Detalles Bibliográficos
Autores principales: Shi, Benjamin X., Zen, Andrea, Kapil, Venkat, Nagy, Péter R., Grüneis, Andreas, Michaelides, Angelos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683001/
https://www.ncbi.nlm.nih.gov/pubmed/37948071
http://dx.doi.org/10.1021/jacs.3c09616

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683001/
https://www.ncbi.nlm.nih.gov/pubmed/37948071
http://dx.doi.org/10.1021/jacs.3c09616

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