Deciphering the electrochemical sensing capability of novel Ga<sub>12</sub>As<sub>12</sub> nanocluster towards chemical warfare phosgene gas: insights from DFT-Reference-Cited by-同舟云学术

Deciphering the electrochemical sensing capability of novel Ga₁₂As₁₂ nanocluster towards chemical warfare phosgene gas: insights from DFT

Published:2023 Issue:41 Volume:13 Page:28885-28903
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Javed Muhammad¹,Khan Muhammad Usman¹^ORCID,Hussain Riaz¹^ORCID,Ahmed Sarfraz²,Ahamad Tansir³^ORCID

Affiliation:

1. Department of Chemistry, University of Okara, Okara-56300, Pakistan

2. Wellman Center for Photomedicine, Harvard Medical School, Massachusetts General Hospital, Boston, MA 02114, USA

3. Department of Chemistry, College of Science, King Saud University, Saudi Arabia

Abstract

The electrochemical sensing capability of novel Ga12As12 nanocluster towards chemical warfare phosgene gas (highly toxic for living things and the environment) is successfully explored employing DFT and TD-DFT computations.

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA05086F

Reference80 articles.

1. Al12N12 nanocage as a potential sensor for phosgene detection

2. Novel synthetic pathway for the production of phosgene

3. Phosgene: toxicology, animal models, and medical countermeasures

4. S.Todd , S.Bland and J.Ritson , in Textbook of Acute Trauma Care , ed. P. Lax , Springer International Publishing , Cham , 2022 , pp. 783–799 , 10.1007/978-3-030-83628-3_41

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