Effect of hydrogen on the structural of transition metal surfaces - Effect of hydrogen on electronic and magnetic structures of transition metal surfaces

This work presents the interaction of hydrogen atoms with surface layers of transition metal surfaces at the (001) orientation, (V, Fe, Co, Ni, Cu, and Ag), and Fe, Co and Ni overlayer on Cu(001) and Ag(001) substrate using first principles calculations. I performed these calculations using full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) of density functional theory (DFT) as implemented in Wien2kcode. Now, I am working on hydrogen dissociation and diffusion on transition metal surfaces to designing the fuel cell by using DFT calculation

About the author

This is Ahmad Mubarak. I am assistant Professor at King Abdul Aziz University, Rabigh Campus. I was awarded the Ph.D. degree in the theoretical solid state.My research interests: Surface Science, Magnetism, Electronic and Optical properties, Catalysis,Heusler Alloy.

Product details

• Authors: Ahmad Mubarak
• Publisher: LAP Lambert Academic Publishing
• Languages: English, German
• Product format: Paperback / Softback
• Released: 01.01.2012
• EAN: 9783659304859
• ISBN: 978-3-659-30485-9
• No. of pages: 124
• Subject: Natural sciences, medicine, IT, technology > Physics, astronomy > Electricity, magnetism, optics