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342405

SF6 decomposed products based on AlN nanocage

Article

Last updated: 28 Dec 2024

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Subjects

-

Tags

Applied and Basic Science.

Abstract

SF6 decomposition products: SO2, SOF2, and SO2F2 were investigated using Al24N24 nanocage based on density functional theory (DFT).  The adsorption properties were studied by analyzing adsorption energy, charge transfer, frontier molecular orbitals, and density of states (DOS).  Our calculation suggests that the adsorption ability of Al24N24 to SO2 and SOF2 are stronger than adsorption of SO2F2 gas due to chemical adsorption. The results show that Al24N24 nanocage plays crucial role for detecting SF6 decomposition gas with high sensitivity and selectivity.

DOI

10.21608/bjas.2022.342405

Keywords

DFT, SF6 decomposition products - Al24N24 nanocage -Adsorption properties

Authors

First Name

R. A.

Last Name

Taha

MiddleName

-

Affiliation

Department of Chemistry, Faculty of Science, Benha University, P.O. Box 13518, Benha, Egypt

Email

-

City

-

Orcid

-

First Name

A. S.

Last Name

Shalabi

MiddleName

-

Affiliation

Department of Chemistry, Faculty of Science, Benha University, P.O. Box 13518, Benha, Egypt

Email

-

City

-

Orcid

-

First Name

M. M.

Last Name

Assem

MiddleName

-

Affiliation

Department of Chemistry, Faculty of Science, Benha University, P.O. Box 13518, Benha, Egypt

Email

-

City

-

Orcid

-

First Name

K. A.

Last Name

Soliman

MiddleName

-

Affiliation

Department of Chemistry, Faculty of Science, Benha University, P.O. Box 13518, Benha, Egypt

Email

-

City

-

Orcid

-

Volume

7

Article Issue

12

Related Issue

38471

Issue Date

2022-12-01

Receive Date

2022-10-21

Publish Date

2022-12-30

Page Start

137

Page End

143

Print ISSN

2356-9751

Online ISSN

2356-976X

Article File

BJAS_Volume 7_Issue 12_Pages 137-143.pdf

PDF . 992.6kB

Link

https://bjas.journals.ekb.eg/article_342405.html

Detail API

https://bjas.journals.ekb.eg/service?article_code=342405

Order

15

Type

Original Research Papers

Type Code

1,647

Publication Type

Journal

Publication Title

Benha Journal of Applied Sciences

Publication Link

https://bjas.journals.ekb.eg/

MainTitle

SF6 decomposed products based on AlN nanocage

Details

Type

Article

Created At

28 Dec 2024