Aluminium phosphide (Al12P12) nanocage as a potential sensor for volatile organic compounds: A DFT study

Author:

Ibrahim Mahmoud A. A.12ORCID,Hamad Manar H. A.1ORCID,Moussa Nayra A. M.1ORCID,Abd-Elkader Omar H.3,Sayed Shaban R. M.4,Ahmed Muhammad Naeem5ORCID,Awad Ahmed M.6,Shoeib Tamer7ORCID

Affiliation:

1. Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt

2. School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa

3. Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

4. Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

5. Department of Chemistry, The University of Azad Jammu and Kashmir, Muzaffarabad 13100, Pakistan

6. Department of Chemistry, California State University Channel Islands, Camarillo, California 93012, USA

7. Department of Chemistry, The American University in Cairo, New Cairo 11835, Egypt

Abstract

The potentiality of the aluminium phosphide (Al12P12) nanocage as a prospective sensor material towards methanol (MeOH) and ethanol (EtOH) molecules was investigated using density functional theory computations.

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

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