First-principles calculations on the role of Ni-doping in \(\text{Cu}_{n}\) clusters: From geometric and electronic structures to chemical activities towards \(CO_{2}\)
type: Item
instance of: scholarly article
title: First-principles calculations on the role of Ni-doping in \(\text{Cu}_{n}\) clusters: From geometric and electronic structures to chemical activities towards \(CO_{2}\)
zbMATH Open document ID: 1238.82038
published in: Physics Letters. A
publication date: 2012-05-29T00:00:00Z
Mathematics Subject Classification ID: 82D35
Mathematics Subject Classification ID: 81Q10
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 78A57
zbMATH DE Number: 6038936
zbMATH Keywords: first-principles calculation
zbMATH Keywords: electronic structure
zbMATH Keywords: bimetallic cluster
zbMATH Keywords: d-band center
zbMATH Keywords: chemical activity towards \(CO_{2}\)
Wikidata QID: Q57524427
MaRDI profile type: Publication
full work available at URL: j.physleta.2010.08.068
OpenAlex ID: W1985564829
DOI: 10.1016/J.PHYSLETA.2010.08.068
author: S. L. Han
author: Xinlian Xue
author: X. C. Nie
author: H. Zhai
author: F. Wang
author: Q. Sun
author: Yu Jia
author: S. F. Li
author: Z. X. Guo
description: scientific article; zbMATH DE number 6038936