Assessing the efficacy of aluminum metal clusters Al13 and Al15 in mitigating NO2 and SO2 pollutants: a DFT investigation

Author:

Laraib Sajida Riffat1ORCID,Liu Ji1ORCID,Xia Yuan-gu1,Wu Yang-wen1ORCID,Mohammadi Mohsen Doust2,Noor Nayab Fatima3,Lu Qiang1ORCID

Affiliation:

1. National Engineering Research Center of New Energy Power Generation, North China Electric Power University, Beijing 102206, China

2. School of Chemistry, College of Science, University of Tehran, Tehran 14176, Iran

3. Military College of Signals, National University of Science and Technology, Rawalpindi, Pakistan

Abstract

The Al15 and Al13 exhibit excellent performance on NO2 and SO2 adsorption. The depiction explores critical points (3, −1) and the interatomic relationships between Al13 and NO2.

Funder

Fundamental Research Funds for the Central Universities

China Postdoctoral Science Foundation

Natural Science Foundation of Jiangsu Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

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