Photoelectron spectroscopy on single crystals of organic semiconductors: Experimental electronic band structure for optoelectronic properties

Y Nakayama, S Kera, N Ueno - Journal of Materials Chemistry C, 2020 - pubs.rsc.org
Modern opto-electronics technologies are built on the basis of fundamental knowledge
about electronic properties of semiconductor materials, which can be attained through …

Understanding the nature of graphene oxide functional groups by modulation of the electrochemical reduction: A combined experimental and theoretical approach

I Ferrari, A Motta, R Zanoni, FA Scaramuzzo, F Amato… - Carbon, 2023 - Elsevier
Oxygen functional groups (OFGs) in graphene oxide (GO) are responsible for its different
properties and peculiar reactivity in water and different solvents. A detailed assignment, both …

Growth of pentacene on clean and modified gold surfaces

D Käfer, L Ruppel, G Witte - Physical Review B—Condensed Matter and …, 2007 - APS
The growth and evolution of pentacene films on gold substrates have been studied. By
combining complementary techniques including scanning tunneling microscopy, atomic …

Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states

J Wenzel, A Holzer, M Wormit, A Dreuw - The Journal of Chemical …, 2015 - pubs.aip.org
The extended second order algebraic-diagrammatic construction (ADC (2)-x) scheme for the
polarization operator in combination with core-valence separation (CVS) approximation is …

Effect of substrate chemistry on the bottom-up fabrication of graphene nanoribbons: combined core-level spectroscopy and STM study

KA Simonov, NA Vinogradov… - The Journal of …, 2014 - ACS Publications
Atomically precise graphene nanoribbons (GNRs) can be fabricated via thermally induced
polymerization of halogen containing molecular precursors on metal surfaces. In this paper …

Adsorption-induced intramolecular dipole: Correlating molecular conformation and interface electronic structure

N Koch, A Gerlach, S Duhm, H Glowatzki… - Journal of the …, 2008 - ACS Publications
The interfaces formed between pentacene (PEN) and perfluoropentacene (PFP) molecules
and Cu (111) were studied using photoelectron spectroscopy, X-ray standing wave (XSW) …

Electronic structure of copper phthalocyanine: An experimental and theoretical study of occupied and unoccupied levels

F Evangelista, V Carravetta, G Stefani… - The Journal of …, 2007 - pubs.aip.org
An experimental and theoretical study of the electronic structure of copper phthalocyanine
(CuPc) molecule is presented. We performed x-ray photoemission spectroscopy (XPS) and …

Characterization of orientational order in π-conjugated molecular thin films by NEXAFS

T Breuer, M Klues, G Witte - Journal of Electron Spectroscopy and Related …, 2015 - Elsevier
Enabled by the improved availability of synchrotron facilities, near-edge X-ray absorption
fine structure (NEXAFS) spectroscopy has become a widely used technique, especially due …

Surface-assisted reactions toward formation of graphene nanoribbons on Au (110) surface

L Massimi, O Ourd**i, L Lafferentz… - The Journal of …, 2015 - ACS Publications
Scanning tunneling microscopy and X-ray spectroscopy measurements are combined to first-
principles simulations to investigate the formation of graphene nanoribbons (GNRs) on Au …

Physical properties, exciton analysis, and visualization of core-excited states: An intermediate state representation approach

J Wenzel, A Dreuw - Journal of Chemical Theory and …, 2016 - ACS Publications
The theoretical simulation of X-ray absorption spectra is in general a challenging task.
However, for small and medium-sized organic molecules, the algebraic diagrammatic …