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Research paper thumbnail of Composite Anderson-Newns model and density of states due to chemisorption: Quasi-chemical approximation

Pramana, 1996

In this paper a variation in density of states (DOS) of the substrate due to chemisorption of hyd... more In this paper a variation in density of states (DOS) of the substrate due to chemisorption of hydrogen on transition metals using composite Anderson-Newns model has been investigated for different coverages in quasi-chemical approximation of Fowler and Guggenhiem, which in the limitz→∞ gives the Bragg-Williams approximation as a special case. Variation in density of states has been studied for one-dimensional

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Research paper thumbnail of Composite Anderson-Newns Model and Density of States Due to Chemisorption

Physica Status Solidi B-basic Solid State Physics, Feb 1, 1994

A systematic variation in the density of states (DOS) of a substrate with respect to the chemisor... more A systematic variation in the density of states (DOS) of a substrate with respect to the chemisorption of hydrogen on transition metals using the composite Anderson‐Newns model is investigated for different coverages. The substrate is a one‐dimensional periodically arranged chain of atoms. A comparison between the change in DOS using semi‐elliptical weighted DOS and triangular weighted DOS is also made for non‐magnetic and magnetic cases. The coverage dependence shows a discerning behaviour on the formation of bonding and antibonding peaks. As the coverage increases, the bonding and antibonding peaks are found to shift towards higher energies and at the same time the relative height of the peaks increases, that clearly shows, at which coverage more chemisorption is likely to take place.

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Research paper thumbnail of Harmful Effects of Ionizing Radiation

International Journal for Research in Applied Science and Engineering Technology

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Research paper thumbnail of Composite Anderson-Newns model and chemisorption characteristics of nickel-hydrogen system

Pramana, 1995

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Research paper thumbnail of Composite Anderson-Newns model and density of states due to chemisorption: Quasi-chemical approximation

Pramana, 1996

In this paper a variation in density of states (DOS) of the substrate due to chemisorption of hyd... more In this paper a variation in density of states (DOS) of the substrate due to chemisorption of hydrogen on transition metals using composite Anderson-Newns model has been investigated for different coverages in quasi-chemical approximation of Fowler and Guggenhiem, which in the limitz→∞ gives the Bragg-Williams approximation as a special case. Variation in density of states has been studied for one-dimensional

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Research paper thumbnail of Composite Anderson-Newns Model and Density of States Due to Chemisorption

Physica Status Solidi B-basic Solid State Physics, Feb 1, 1994

A systematic variation in the density of states (DOS) of a substrate with respect to the chemisor... more A systematic variation in the density of states (DOS) of a substrate with respect to the chemisorption of hydrogen on transition metals using the composite Anderson‐Newns model is investigated for different coverages. The substrate is a one‐dimensional periodically arranged chain of atoms. A comparison between the change in DOS using semi‐elliptical weighted DOS and triangular weighted DOS is also made for non‐magnetic and magnetic cases. The coverage dependence shows a discerning behaviour on the formation of bonding and antibonding peaks. As the coverage increases, the bonding and antibonding peaks are found to shift towards higher energies and at the same time the relative height of the peaks increases, that clearly shows, at which coverage more chemisorption is likely to take place.

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Research paper thumbnail of Harmful Effects of Ionizing Radiation

International Journal for Research in Applied Science and Engineering Technology

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Research paper thumbnail of Composite Anderson-Newns model and chemisorption characteristics of nickel-hydrogen system

Pramana, 1995

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