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Thermionic current densities from first principles

delete2013-05-22
delete14
PRE
AI
J
Johannes Voss *
A
Aleksandra Vojvodić
S
Sharon H. Chou
R
Roger T. Howe
I
Igor Bargatin
F
Frank Abild‐Pedersen
DOI:10.1063/1.4805002delete
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Abstract

Abstract

En 中文
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. (C) 2013 AIP Publishing LLC.
Keywords:
FIELD-EMISSION CURRENTS
WORK-FUNCTIONS
TUNGSTEN
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Journal

Journal of Chemical Physics cover
Journal of Chemical Physics
IF:
3.1
Papers:
7.2W
Citations:
23.2W

Organization

S
Stanford University
Scholars:
9.6W
Papers: 8.2W
Citations: 17.0W
S
SLAC National Accelerator Laboratory
Scholars:
4.3K
Papers: 2.5K
Citations: 1.7W
U
united states department of energy (doe)
Scholars:
11.3W
Papers: 9.6W
Citations: 246
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