Electronic structure, adsorption geometry, and photoswitchability of azobenzene layers adsorbed on layered crystals

2013 ◽  
Vol 15 (46) ◽  
pp. 20272 ◽  
Author(s):  
Eric Ludwig ◽  
Thomas Strunskus ◽  
Stefan Hellmann ◽  
Alexei Nefedov ◽  
Christof Wöll ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Layered Crystals ◽  
Adsorption Geometry

The local adsorption geometry and electronic structure of alanine on Cu{110}

2006 ◽  
Vol 600 (9) ◽  
pp. 1924-1935 ◽  
Author(s):  
G. Jones ◽  
L.B. Jones ◽  
F. Thibault-Starzyk ◽  
E.A. Seddon ◽  
R. Raval ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Adsorption Geometry

Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface

2006 ◽  
Vol 74 (4) ◽  
Author(s):  
A. Kraft ◽  
R. Temirov ◽  
S. K. M. Henze ◽  
S. Soubatch ◽  
M. Rohlfing ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Metal Surface ◽  
Site Specific ◽  
Adsorption Geometry

First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications

2010 ◽  
Vol 114 (13) ◽  
pp. 6054-6061 ◽  
Author(s):  
Filippo De Angelis ◽  
Simona Fantacci ◽  
Annabella Selloni ◽  
Mohammad K. Nazeeruddin ◽  
Michael Grätzel
Keyword(s):  
Electronic Structure ◽  
Solar Cell ◽  
First Principles ◽  
Dye Sensitized Solar Cell ◽  
Dye Sensitized ◽  
Adsorption Geometry

scholarly journals Adsorption geometry, conformation, and electronic structure of 2H-octaethylporphyrin on Ag(111) and Fe metalation in ultra high vacuum

2013 ◽  
Vol 138 (14) ◽  
pp. 144702 ◽  
Author(s):  
Patrizia Borghetti ◽  
Giovanni Di Santo ◽  
Carla Castellarin-Cudia ◽  
Mattia Fanetti ◽  
Luigi Sangaletti ◽  
...  
Keyword(s):  
Electronic Structure ◽  
High Vacuum ◽  
Ultra High Vacuum ◽  
Adsorption Geometry

scholarly journals Combined orbital tomography study of multi-configurational molecular adsorbate systems

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Pavel Kliuiev ◽  
Giovanni Zamborlini ◽  
Matteo Jugovac ◽  
Yeliz Gurdal ◽  
Karin von Arx ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Energy Levels ◽  
Frontier Orbitals ◽  
Catalytic Systems ◽  
Elegant Method ◽  
Molecular Reactivity ◽  
Low Energy Electron ◽  
Organic Adsorbates ◽  
Adsorption Geometry

AbstractMolecular reactivity is determined by the energy levels and spatial extent of the frontier orbitals. Orbital tomography based on angle-resolved photoelectron spectroscopy is an elegant method to study the electronic structure of organic adsorbates, however, it is conventionally restricted to systems with one single rotational domain. In this work, we extend orbital tomography to systems with multiple rotational domains. We characterise the hydrogen evolution catalyst Co-pyrphyrin on an Ag(110) substrate and compare it with the empty pyrphyrin ligand. In combination with low-energy electron diffraction and DFT simulations, we fully determine adsorption geometry and both energetics and spatial distributions of the valence electronic states. We find two states close to the Fermi level in Co-pyrphyrin with Co $$3d$$3d character that are not present in the empty ligand. In addition, we identify several energetically nearly equivalent adsorption geometries that are important for the understanding of the electronic structure. The ability to disentangle and fully elucidate multi-configurational systems renders orbital tomography much more useful to study realistic catalytic systems.

The Electronic Structure and Adsorption Geometry ofl-Histidine on Cu(110)

2008 ◽  
Vol 112 (43) ◽  
pp. 13655-13660 ◽  
Author(s):  
Vitaliy Feyer ◽  
Oksana Plekan ◽  
Tomáš Skála ◽  
Vladimír Cháb ◽  
Vladimír Matolín ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Adsorption Geometry

scholarly journals Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ_2 on Ag(110)

2020 ◽  
Author(s):  
Patrick Kretz ◽  
Kay Waltar ◽  
Yan Geng ◽  
Christian Metzger ◽  
Martin Graus ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Adsorption Geometry ◽  
A Charge
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