TY  - JOUR
AU  - Zamborlini, Giovanni
AU  - Lüftner, Daniel
AU  - Feng, Zhijing
AU  - Kollmann, Bernd
AU  - Puschnig, Peter
AU  - Dri, Carlo
AU  - Panighel, Mirko
AU  - Di Santo, Giovanni
AU  - Goldoni, Andrea
AU  - Comelli, Giovanni
AU  - Jugovac, Matteo
AU  - Feyer, Vitaliy
AU  - Schneidery, Claus Michael
TI  - Multi-orbital charge transfer at highly oriented organic/metal interfaces
JO  - Nature Communications
VL  - 8
IS  - 1
SN  - 2041-1723
CY  - London
PB  - Nature Publishing Group
M1  - FZJ-2017-04084
SP  - 335
PY  - 2017
AB  - The molecule–substrate interaction plays a key role in charge injection organic-based devices. Charge transfer at molecule–metal interfaces strongly affects the overall physical and magnetic properties of the system, and ultimately the device performance. Here, we report theoretical and experimental evidence of a pronounced charge transfer involving nickel tetraphenyl porphyrin molecules adsorbed on Cu(100). The exceptional charge transfer leads to filling of the higher unoccupied orbitals up to LUMO+3. As a consequence of this strong interaction with the substrate, the porphyrin’s macrocycle sits very close to the surface, forcing the phenyl ligands to bend upwards. Due to this adsorption configuration, scanning tunneling microscopy cannot reliably probe the states related to the macrocycle. We demonstrate that photoemission tomography can instead access the Ni-TPP macrocycle electronic states and determine the reordering and filling of the LUMOs upon adsorption, thereby confirming the remarkable charge transfer predicted by density functional theory calculations.
LB  - PUB:(DE-HGF)16
C6  - pmid:28839127
UR  - <Go to ISI:>//WOS:000408376600001
DO  - DOI:10.1038/s41467-017-00402-0
UR  - https://juser.fz-juelich.de/record/830552
ER  -