DFT study of gases adsorption on sharp tip nano-catalysts surface for green fertilizer synthesis

• Main Authors: Yahya, N., Irfan, M., Shafie, A., Soleimani, H., Alqasem, B., Rehman, Z.U., Qureshi, S.
• Format: Conference or Workshop Item
• Published: American Institute of Physics Inc. 2016
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85005965363&doi=10.1063%2f1.4968090&partnerID=40&md5=0b49c43e71346c00c4b6ae12a92c4a63; http://eprints.utp.edu.my/30653/
• Institution: Universiti Teknologi Petronas

The energy minimization and spin modifications of sorbates with sorbents in magnetic induction method (MIM) play a vital role in yield of fertilizer. Hence, in this article the focus of study is the interaction of sorbates/reactants (H2, N2 and CO2) in term of average total adsorption energies, aver...