Structural Growth Pattern, Electronic Configurations, and Spectral and Thermochemistry Properties of ZrSnn0/–/2– (n = 4–17) Nanoscale Compounds: A Systematic Study Using Density Functional Theory-Reference-Cited by-同舟云学术

Structural Growth Pattern, Electronic Configurations, and Spectral and Thermochemistry Properties of ZrSn_n^0/–/2– (n = 4–17) Nanoscale Compounds: A Systematic Study Using Density Functional Theory

Published:2024-01-12 Issue: Volume: Page:
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Zhang Yanpeng¹,Yang Jucai¹²^ORCID,Dong Caixia²^ORCID

Affiliation:

1. College of Chemical Engineering, Inner Mongolia University of Technology, and Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Hohhot 010051, People’s Republic of China

2. College of Resources and Environmental Engineering, Inner Mongolia University of Technology, Hohhot 010051, People’s Republic of China

Funder

Research Program of Science and Technology at Universities of Inner Mongolia Autonomous Region

Natural Science Foundation of Inner Mongolia Autonomous Region

Program for Innovative Research Team at University of Inner Mongolia Autonomous Region

Key Laboratory of Environmental Pollution Control and Remediation at Universities of Inner Mongolia Autonomous Region

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.3c07674

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3. Structural Evolution, Electronic Structures, and Vibrational Properties of Anionic LuGen (n = 5–17) Clusters: From Lu-Linked to Lu-Encapsulated Configurations

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

5. Structure and Electric Properties of SnN Clusters (N = 6−20) from Combined Electric Deflection Experiments and Quantum Theoretical Studies