The effect of silicon doping on the geometrical structures, stability, and electronic and spectral properties of magnesium clusters: DFT study of SiMg n ( n = 1‐12) clusters-Reference-Cited by-同舟云学术

The effect of silicon doping on the geometrical structures, stability, and electronic and spectral properties of magnesium clusters: DFT study of SiMg n ( n = 1‐12) clusters

Published:2020-05-15 Issue:10 Volume:120 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Zhu Ben‐Chao¹²^ORCID,Zhang Shuai³,Zeng Lu⁴

Affiliation:

1. School of Public Health and ManagementHubei University of Medicine Shiyan China

2. Center for Environment and Health in Water Source Area of South‐to‐North Water DiversionHubei University of Medicine Shiyan China

3. Department of PhysicsNanyang Normal University Nanyang China

4. College of Materials Science and EngineeringChongqing University Chongqing China

Funder

Fundamental Research Funds for the Central Universities

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26143

Reference48 articles.

1. Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework

2. Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster

3. Ab Initio Search for Global Minimum Structures of Pure and Boron Doped Silver Clusters

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

5. Adsorption and Dissociation of H2 on B n and MgB n (n = 2–7) Clusters: A DFT Investigation

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