78 citations · 390 across the 16 of their papers we have counts for
16 papers
High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
Paul A. Albrecht, Eric W. Fischer, Tillmann Klamroth +1
The creation of light-matter hybrid states, polaritons, in a cavity offers new intriguing opportunities to manipulate the electronic structure and electron dynamics of atoms and mo…
Vibrational Dynamics and Spectroscopy of Water at Porous g-CN and CN Materials
Deepak Ojha, Christopher Penschke, Peter Saalfrank
In this work, the vibrational dynamics and spectroscopy of deuterated water molecules (DO) mimicking dense water layers at room temperature on the surfaces of two different C…
Beyond Cavity Born-Oppenheimer: On Non-Adiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry
Eric W. Fischer, Peter Saalfrank
The emerging field of vibro-polaritonic chemistry studies the impact of light-matter hybrid states known as vibrational polaritons on chemical reactivity and molecular properties.…
Cavity-Catalyzed Hydrogen Transfer Dynamics in an Entangled Molecular Ensemble under Vibrational Strong Coupling
Eric W. Fischer, Peter Saalfrank
Microcavities have been shown to influence the reactivity of molecular ensembles by strong coupling of molecular vibrations to quantized cavity modes. In quantum mechanical treatme…
Why Ultrafast Photo-induced CO Desorption Dominates over Oxidation on Ru(0001)
Auguste Tetenoire, Christopher Ehlert, J. I. Juaristi +2
CO oxidation on Ru(0001) is a long-standing example of a reaction that, being thermally forbidden in ultra-high vacuum, can be activated by femtosecond laser pulses. In spite of it…
Hydration at highly crowded interfaces
Christopher Penschke, John Thomas, Cord Bertram +4
Understanding the molecular and electronic structure of electrolytes at interfaces requires an analysis of the interactions between the electrode surface, the ions, and the solvent…
Cavity-induced Non-Adiabatic Dynamics and Spectroscopy of Molecular Rovibrational Polaritons studied by Multi-Mode Quantum Models
Eric W. Fischer, Peter Saalfrank
We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interact…
Non-Markovian Vibrational Relaxation Dynamics at Surfaces
Eric W. Fischer, Michael Werther, Foudhil Bouakline +2
Vibrational dynamics of adsorbates near surfaces plays both an important role for applied surface science and as model lab for studying fundamental problems of open quantum systems…
Cavity-Altered Thermal Isomerization Rates and Dynamical Resonant Localization in Vibro-Polaritonic Chemistry
Eric W. Fischer, Janet Anders, Peter Saalfrank
It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" rea…
A Thermofield-based Multilayer Multiconfigurational Time-Dependent Hartree Approach to Non-Adiabatic Quantum Dynamics at Finite Temperature
Eric W. Fischer, Peter Saalfrank
We introduce a thermofield-based formulation of the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method to study finite temperature effects on non-adiabatic qu…
Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
Dennis Mayer, Fabiano Lever, David Picconi +17
The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific…
Strong anisotropic interaction controls unusual sticking and scattering of CO at Ru(0001)
Ivor Lončarić, Gernot Füchsel, J. I. Juaristi +1
Complete sticking at low incidence energies and broad angular scattering distributions at higher energies are often observed in molecular beam experiments on gas-surface systems wh…
Control of oxidation and spin state in a single-molecule junction
Benjamin W. Heinrich, Christopher Ehlert, Nino Hatter +4
The oxidation and spin state of a metal-organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and…
Characterization of Water Dissociation on -AlO: Theory and Experiment
Jonas Wirth, Harald Kirsch, Sebastian Wlosczyk +3
The interaction of water with -alumina (i.e. -AlO surfaces is important in a variety of applications and a useful model for the interaction of water with environm…
Femtosecond laser driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110)
Ivor Lončarić, M. Alducin, P. Saalfrank +1
We simulate the femtosecond laser induced desorption dynamics of a diatomic molecule from a metal surface by including the effect of the electron and phonon excitations created by…
Electronic structure of a subnanometer wide bottom-up fabricated graphene nanoribbon: End states, band gap and dispersion
C. Bronner, F. Leyssner, S. Stremlau +4
Angle-resolved two-photon photoemission and high-resolution electron energy loss spectroscopy are employed to derive the electronic structure of a sub-nanometer tomically precise q…