Binding and electronic level alignment of π-conjugated systems on metals

A Franco-Cañellas, S Duhm, A Gerlach… - Reports on Progress …, 2020 - iopscience.iop.org
We review the binding and energy level alignment of π-conjugated systems on metals, a
field which during the last two decades has seen tremendous progress both in terms of …

[HTML][HTML] Dyson-orbital concepts for description of electrons in molecules

JV Ortiz - The Journal of chemical physics, 2020 - pubs.aip.org
Dyson orbitals, their electron-binding energies, and probability factors provide descriptions
of electrons in molecules that are experimentally verifiable and that generalize qualitatively …

Orbitals and the interpretation of photoelectron spectroscopy and (e, 2e) ionization experiments

DG Truhlar, PC Hiberty, S Shaik… - Angewandte …, 2019 - Wiley Online Library
Electron momentum spectroscopy, scanning tunneling microscopy, and photoelectron
spectroscopy provide unique information about electronic structure, but their interpretation …

Tracing orbital images on ultrafast time scales

R Wallauer, M Raths, K Stallberg, L Münster… - Science, 2021 - science.org
Frontier orbitals determine fundamental molecular properties such as chemical reactivities.
Although electron distributions of occupied orbitals can be imaged in momentum space by …

Optoelectronic properties of β-Cyclodextrin compound and doped with Na: Comparative study by experimental and DFT approaches

M Hadadian, M Azadparvar, B Mahdavi… - Journal of Molecular …, 2024 - Elsevier
The chemical and physical properties of β-Cyclodextrin (β-CD) and doped with Na can be
useful in drug delivery, organic solar cells and photoprotective applications …

Large distortion of fused aromatics on dielectric interlayers quantified by photoemission orbital tomography

P Hurdax, CS Kern, TG Boné, A Haags, M Hollerer… - ACS …, 2022 - ACS Publications
Polycyclic aromatic compounds with fused benzene rings offer an extraordinary versatility as
next-generation organic semiconducting materials for nanoelectronics and optoelectronics …

Momentum space imaging of σ orbitals for chemical analysis

A Haags, X Yang, L Egger, D Brandstetter… - Science …, 2022 - science.org
Tracing the modifications of molecules in surface chemical reactions benefits from the
possibility to image their orbitals. While delocalized frontier orbitals with π character are …

Understanding the photoemission distribution of strongly interacting two-dimensional overlayers

D Lüftner, S Weiß, X Yang, P Hurdax, V Feyer… - Physical Review B, 2017 - APS
Photoemission tomography (PT), the analysis of the photoemission intensity distribution
within the plane wave final-state approximation, is being established as a useful tool for …

Coexisting charge states in a unary organic monolayer film on a metal

X Yang, L Egger, J Fuchsberger, M Unzog… - The journal of …, 2019 - ACS Publications
The electronic and geometric structures of tetracene films on Ag (110) and Cu (110) have
been studied with photoemission tomography and compared to that of pentacene. Despite …

On the decoupling of molecules at metal surfaces

X Yang, I Krieger, D Lüftner, S Weiß… - Chemical …, 2018 - pubs.rsc.org
We report a method to achieve physical and electronic decoupling of organic molecules
from a metal surface. Oxygen adsorbed on the Cu (100) surface immobilizes the surface …