Atomic simulation of adsorption of SO2 pollutant by metal (Zn, Be)-oxide and Ni-decorated graphene: a first-principles study

被引：0
作者：
Zohre Karami
Amin Hamed Mashhadzadeh
Sajjad Habibzadeh
Mohammad Reza Ganjali
El Mehdi Ghardi
Abdellatif Hasnaoui
Vahid Vatanpour
Gaurav Sharma
Amin Esmaeili
Florian J. Stadler
Mohammad Reza Saeb
机构：
[1] University of Tehran,Center of Excellence in Electrochemistry, School of Chemistry, College of Science
[2] Amirkabir University of Technology (Tehran Polytechnic),Department of Chemical Engineering
[3] Tehran University of Medical Sciences,Biosensor Research Center, Endocrinology and Metabolism Molecular
[4] Université Hassan II Casablanca- UH2C,Cellular Sciences Institute
[5] Université Sultan Moulay Slimane,Laboratoire physique de la matière condensée (LPMC), Faculté des sciences Ben M’sik
[6] Kharazmi University,LS3M, Faculté Polydisciplinaire de Khouribga
[7] Shoolini University,Department of Applied Chemistry, Faculty of Chemistry
[8] Shenzhen University,International Research Centre of Nanotechnology for Himalayan Sustainability (IRCNHS)
[9] College of the North Atlantic – Qatar,College of Materials Science and Engineering, Shenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, Nanshan District Key Laboratory fo
来源：
Journal of Molecular Modeling | 2021年 / 27卷
关键词：
Density functional theory; SO; adsorption; Metal oxide; Graphene; Ni-decorated graphene;
D O I：
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