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Thermionic dispenser cathodes are widely used in microwave devices because of their high current densities. Several investigations have shown that the structural arrangement and coverage of atoms or molecules on tungsten surface can dramatically reduce the work function. Theoretically, work function was reduced and increased by electropositive and electronegative adsorbates, respectively. In this...
Ab initio calculations are used to study the reduction of the work functions of tungsten (W) surfaces with one monolayer of adsorbed barium (Ba) and lithium atoms. We have carefully and systematically test the convergence of density-functional-theory (DFT) calculations in the local-density approximation or generalized-gradient approximation with a plane-wave basis set and ultra-soft pseudopotentials...
Work function is one of the most fundamental electronic properties of a metallic surface. The calculations of work function in our work were performed using density-functional-theory (DFT) in the local density approximation, with a plane wave basis set and the projector-augmented wave method, as implemented in the Vienna ab-initio simulation package. Using DFT calculations, we investigated the work...
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