Structural evolution, photoelectron spectra and vibrational properties of anionic GdGen− (n = 5–18) nanoalloy clusters: a DFT insight-Reference-Cited by-同舟云学术

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

Published:2022 Issue:34 Volume:12 Page:22020-22030
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Zhaofeng¹,Rehman Aziz U.¹,Cao Zhenzhu¹,Yang Jucai¹²^ORCID

Affiliation:

1. School of Chemical Engineering, Inner Mongolia University of Technology, Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Hohhot 010051, Peoples Republic of China

2. School of Energy and Power Engineering, Inner Mongolia University of Technology, Hohhot 010051, Peoples Republic of China

Abstract

The structural evolution, electronic and vibrational properties of GdGen− (n=5-18) nanoclusters were studied by quantum chemical calculations, which revealed GdGe16− nanocluster is a superatom to the orbital of 1S21P6(4f7)1D101F142S22P21G182P42D10.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA04037A

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