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Thermionic current densities from first principles
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/content/aip/journal/jcp/138/20/10.1063/1.4805002
2013-05-22
2014-07-24

Abstract

We present a density functional theory-based method for calculating thermionic emission currents from a cathode into vacuum using a non-equilibrium Green's function approach. It does not require semi-classical approximations or crude simplifications of the electronic structure used in previous methods and thus provides quantitative predictions of thermionic emission for adsorbate-coated surfaces. The obtained results match well with experimental measurements of temperature-dependent current densities. Our approach can thus enable computational design of composite electrode materials.

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Scitation: Thermionic current densities from first principles
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/20/10.1063/1.4805002
10.1063/1.4805002
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