Exploring Si-centered phthalocyanine as a single atom catalyst for N2O reduction: a DFT study

Author:

Khan Adnan Ali1ORCID,Alsalhi Sarah Abdullah2,Rahman Ata Ur3

Affiliation:

1. Department of Chemistry, University of Malakand, Khyber Pakhtunkhwa, Pakistan

2. Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia

3. THz Technical Research Center of Shenzhen University, Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen, 518060, China

Abstract

A Si-centered phthalocyanine system is investigated as a single-atom catalyst for the N2O reduction. The catalyst shows high reactivity towards N2O reduction and CO oxidation.

Funder

Princess Nourah Bint Abdulrahman University

Publisher

Royal Society of Chemistry (RSC)

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