Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters

We performed an unbiased structure search for low-lying energetic minima of neutral and charged palladium Pd(n)(Q) (n = 2–20, Q = 0, + 1 and –1) clusters using CALYPSO method in combination with density functional theory (DFT) calculations. The main candidates for the lowest energy neutral, cationic...

Descripción completa

Detalles Bibliográficos
Autores principales: Xing, Xiaodong, Hermann, Andreas, Kuang, Xiaoyu, Ju, Meng, Lu, Cheng, Jin, Yuanyuan, Xia, Xinxin, Maroulis, George
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4726383/
https://www.ncbi.nlm.nih.gov/pubmed/26794267
http://dx.doi.org/10.1038/srep19656

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4726383/
https://www.ncbi.nlm.nih.gov/pubmed/26794267
http://dx.doi.org/10.1038/srep19656

Ejemplares similares