Year of publication
2013
Journal
The Journal of Chemical Physics
Issue
20
Volume
138
Starting page
204701
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 ...
Keywords
Density functional theory; Stepped surfaces; Coupling reactions; Bond breaking reactions; BEP relations; Scaling relations
Research Areas
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