Quantum-Chemical Study of Structural Stone–Wales Defect in Functionalized Fullerene C20

Faculty Science Year: 2018
Type of Publication: ZU Hosted Pages:
Authors:
Mahmoud Ali Abdullah Mohamed Salem
Journal: Bulletin of the Lebedev Physics Institute Springer Nature Volume:
Keywords : Quantum-Chemical Study , Structural Stone–Wales Defect , Functionalized    
Abstract:
The formation energy and the Stone–Wales defect structure in fullerene C20 doped with one of the functional groups H, Cl, F, or OH are calculated within the density functional theory. It is shown that the functional group type and the bindi
    
     
 
       

Author Related Publications

  • Mahmoud Ali Abdullah Mohamed Salem, "Neutron Activation Analysis of Cement Bulk Samples", 35, Manyavas, PR Nagar, Jaipur -302015 Rajasthan, India, 2011 More
  • Mahmoud Ali Abdullah Mohamed Salem, "Strain-tunable electronic and magnetic properties of two-dimensional CrSBr material", IOP Publishing, 2024 More
  • Mahmoud Ali Abdullah Mohamed Salem, "Ab initio study of hydrocarbon prismanes and their substituted derivatives", Elsevier, 2018 More
  • Mahmoud Ali Abdullah Mohamed Salem, "Nitro-Derivatives of Silaprismanes as High-Energy Compounds: Theoretical Study", World Scientific Publishing Co Pte Ltd, 2019 More
  • Mahmoud Ali Abdullah Mohamed Salem, "Doping effect on electronic structure and optical properties of silicon biprismanes: DFT and TD-DFT studies", Institute for Metals Superplasticity Problems RAS, 2020 More

Department Related Publications

  • Nabil Mohamed Mohamed Hasana, "Elemental Analysis of Egyption Phosphate Fertilizer Components Samples by TGA, DTA and IR Methods", www.iosrjournals.org, 2013 More
  • Abdulrahman Abdullah Awadallah, "Novel SiC nanoparticles-containing Sn–1.0Ag–0.5Cu solder with good drop impact performance", Elsevier, 2013 More
  • Hesham Mohamed Zaki Mostafa, "Magnesium-Zinc Ferrite Nanoparticles: Effect of Copper Doping on the Structural, Electrical and Magnetic Properties,", American Scientific Publishers, 2013 More
  • Abdullah Fathi Aly Saad, "The track nanotechnology", Radiation Measurements (Elsevier Science), Vol. 44, (2009) 1109- 1113.., 2009 More
  • Salwa Fahim Ibrahim Mansour, "Composition dependence of discontinuous magnetization in Li- Ti ferrites", J.Phys. D Appl., 1993 More
Tweet