Structural evolution, photoelectron spectra and vibrational properties of anionic GdGe(n)(−) (n = 5–18) nanoalloy clusters: a DFT insight

The structural growth of Gd-doped germanium anionic nanoclusters, GdGe(n)(−) (n = 5–18), has been explored via quantum chemistry calculations using the mPW2PLYP method and an unprejudiced structural searching technique known as ABCluster. The optimized geometries exhibited that when n = 10–14, the s...

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Detalles Bibliográficos
Autores principales: Yang, Zhaofeng, Rehman, Aziz U., Cao, Zhenzhu, Yang, Jucai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9364359/
https://www.ncbi.nlm.nih.gov/pubmed/36043068
http://dx.doi.org/10.1039/d2ra04037a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9364359/
https://www.ncbi.nlm.nih.gov/pubmed/36043068
http://dx.doi.org/10.1039/d2ra04037a

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