Effect of hydrogen on the structural of transition metal surfaces: Effect of hydrogen on electronic and magnetic structures of t,Used

Effect of hydrogen on the structural of transition metal surfaces: Effect of hydrogen on electronic and magnetic structures of t,Used

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SKU: DADAX3659304859
Brand: LAP Lambert Academic Publishing
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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 fullpotential linearized augmented plane wave (FPLAPW) 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

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