A high-throughput framework for determining adsorption energies on solid surfaces
Surface chemistry: an automatic sense of attraction An automated procedure for determining the energy required for a molecule to adhere to a surface is developed by researchers in the United States. Joseph Montoya from the Lawrence Berkeley National Laboratory and Kristin Persson from the University...
Guardado en:
Autores principales: | Joseph H. Montoya, Kristin A. Persson |
---|---|
Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2017
|
Materias: | |
Acceso en línea: | https://doaj.org/article/6d7647d87d2a454fb1658f93bad3f11d |
Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
-
A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts
por: Osman Mamun, et al.
Publicado: (2020) -
High-throughput systematic topological generation of low-energy carbon allotropes
por: Vladislav A. Blatov, et al.
Publicado: (2021) -
Effective mass and Fermi surface complexity factor from ab initio band structure calculations
por: Zachary M. Gibbs, et al.
Publicado: (2017) -
Adsorption space for microporous polymers with diverse adsorbate species
por: Dylan M. Anstine, et al.
Publicado: (2021) -
Publisher Correction: Adsorption space for microporous polymers with diverse adsorbate species
por: Dylan M. Anstine, et al.
Publicado: (2021)