Structural and electronic properties for Be-doped Ptn (n = 1–12) clusters obtained by DFT calculations

Autor:	Peter L. Rodríguez-Kessler, Adán R. Rodríguez-Domínguez, Pedro Alonso-Dávila, Pedro Navarro-Santos, Alvaro Muñoz-Castro
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:7856-7861
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d1cp05410d
Popis:	In this work, we have performed a computational study on the structure and electronic properties for Be-doped Ptn (n = 1–12) clusters in the framework of density functional theory (DFT).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7bd691f11696e5567be5c0ac58c75fb0 https://doi.org/10.1039/d1cp05410d Zobrazit plný text záznamu