A DFT study on effective detection of ClCN gas by functionalized, decorated, and doped nanocone strategies-Reference-Cited by-同舟云学术

A DFT study on effective detection of ClCN gas by functionalized, decorated, and doped nanocone strategies

Published:2023 Issue:18 Volume:13 Page:12554-12571
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kumar Anjan¹^ORCID,Sayyed M. I.²³,Sabugaa Michael M.⁴,Al-Bahrani Mohammed⁵,Sharma Shilpa⁶^ORCID,Saadh Mohamed J.⁷⁸^ORCID

Affiliation:

1. Nanotechnology Laboratory, GLA University, Mathura-281406, India

2. Department of Physics, Faculty of Science, Isra University, Amman 11622, Jordan

3. Department of Nuclear Medicine Research, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman bin Faisal University (IAU), PO Box 1982, Dammam, 31441, Saudi Arabia

4. Department of Electronics Engineering, Agusan del Sur State College of Agriculture and Technology, Philippines

5. Chemical Engineering and Petroleum Industries Department, Al-Mustaqbal University College, Babylon, 51001, Iraq

6. Department: Chemistry, Bhilai Institute of Technology Raipur, India

7. Faculty of Pharmacy, Middle East University, Amman, Jordan

8. Applied Science Research Center, Applied Science Private University, Amman, Jordan

Abstract

Density Functional Theory (DFT) was employed to investigate the interaction between cyanogen chloride (ClCN) and the surface of a carbon nanocone (CNC).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA01231J

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