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Showing 1 to 2 of 2 for “"moments theorem"”.
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Towards first-principles prediction of electrocatalytic activity of ABO₃ perovskites
… states, as described by its 1s-4th mathematical moments, and provided a strong physical grounding for this descriptor from a tight-binding analysis and use of the moments theorem. This work has led to an essential extension of the widely used d-band theory for metal catalysts to the realm of …
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Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces
<p>The continuous downward scaling of electronic devices has renewed attention on the importance of the role of material interfaces in the functioning of key components in electronic technology in recent times. It has also brought into focus the utility of</p> <p>atomistic modeling in providing …