Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory
We investigate the molecular acceptors 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA), 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) and 4,5,9,10-pyrenetetraone (PYTON) on Ag(111) using density-functional theory (DFT). For two groups of the Heyd–Scuseria–Ernzerhof (HSE( α...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2013-01-01
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| Series: | New Journal of Physics |
| Online Access: | https://doi.org/10.1088/1367-2630/15/12/123028 |