2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
26 papers · 1 filter
Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity
Shuyi Liu, Franco P. Bonafe, Heiko Appel +3
Here, using low-temperature optical scanning tunneling microscopy (STM), we investigate inelastic light scattering (ILS) in the vicinity of a single-atom quantum point contact (QPC…
Spiralling molecular structures and chiral selectivity in model membranes
Alexander P. Fellows, Ben John, Martin Wolf +1
Since the lipid raft model was developed at the end of the last century, it became clear that the specific molecular arrangements of phospholipid assemblies within a membrane have…
Converging Divergent Paths: Constant Charge vs. Constant Potential Energetics in Computational Electrochemistry
Nicolas G. Hörmann, Simeon D. Beinlich, Karsten Reuter
Using the example of a proton adsorption process, we analyze and compare two prominent modelling approaches in computational electrochemistry at metallic electrodes - electronicall…
Comprehensive peak-width analysis in matter-wave diffraction under grazing incidence conditions
Lee Yeong Kim, Do Won Kang, Jong Chan Lee +3
Thermal energy atom scattering at a surface with grazing incidence conditions is an innovative method for investigating dispersive atom-surface interactions with potential applicat…
Accessing ultrafast spin-transport dynamics in copper using broadband terahertz spectroscopy
Jiří Jechumtál, Reza Rouzegar, Oliver Gueckstock +10
We study the spatiotemporal dynamics of ultrafast electron spin transport across nanometer-thick copper layers using broadband terahertz spectroscopy. Our analysis of temporal dela…
Hyperfine structure and isotope shifts of the transition in atomic zinc
David Röser, J. Eduardo Padilla-Castillo, Ben Ohayon +5
We report absolute frequency, isotope shift, radiative lifetime and hyperfine structure measurements of the (213.8 nm) transition in Zn I using a cryog…
Ab-Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions
Nicolas Bergmann, Nicolas G Hörmann, Karsten Reuter
Experimental cyclic voltammograms (CVs) measured in the slow scan rate limit can be entirely described in terms of thermodynamic equilibrium quantities of the electrified solid-liq…
Berry Curvature Signatures in Chiroptical Excitonic Transitions
Samuel Beaulieu, Shuo Dong, Viktor Christiansson +10
The topology of the electronic band structure of solids can be described by its Berry curvature distribution across the Brillouin zone. We theoretically introduce and experimentall…
Molecular dynamics-driven global tetra-atomic potential energy surfaces: Application to the AlF dimer
Xiangyue Liu, Weiqi Wang, Jesús Pérez-Ríos
In this work, we present a general machine learning approach for full-dimensional potential energy surfaces for tetra-atomic systems. Our method employs an active learning scheme t…
A Theoretical Investigation of the Grand- and the Canonical Potential Energy Surface: The Interplay between Electronic and Geometric Response at Electrified Interfaces
Simeon D. Beinlich, Georg Kastlunger, Karsten Reuter +1
How does an electrochemical interface respond to changes in the electrode potential? How does the response affect the key properties of the system - energetics, excess charge, capa…
A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules
King Chun Lai, Sebastian Matera, Christoph Scheurer +1
The nature of an atom in a bonded structure -- such as in molecules, in nanoparticles or solids, at surfaces or interfaces -- depends on its local atomic environment. In atomic-sca…
How Does Mg Interact with ATP? Biomolecular Structure through the Lens of Liquid-Jet Photoelectron Spectroscopy
Karen Mudryk, Chin Lee, Lukáš Tomaník +7
Site-specific information on how adenosine triphosphate in the aqueous phase (ATP) interacts with magnesium (Mg) is a prerequisite to understanding its compl…
Carrier-Density Control of the Quantum-Confined 1-TiSe Charge-Density-Wave
T. Jaouen, A. Pulkkinen, M. Rumo +9
Using angle-resolved photoemission spectroscopy, combined with first principle and coupled self-consistent Poisson-Schrödinger calculations, we demonstrate that potassium (K) atoms…
Nonlinear terahertz Néel spin-orbit torques in antiferromagnetic MnAu
Yannic Behovits, Alexander L. Chekhov, Stanislav Yu. Bodnar +8
Antiferromagnets have large potential for ultrafast coherent switching of magnetic order with minimum heat dissipation. In novel materials such as MnAu and CuMnAs, electric rat…
A Hybrid-DFT Study of Intrinsic Point Defects in (=Mo, W; =S, Se) Monolayers
Alaa Akkoush, Yair Litman, Mariana Rossi
Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for mater…
Stress and heat flux via automatic differentiation
Marcel F. Langer, J. Thorben Frank, Florian Knoop
Machine-learning potentials provide computationally efficient and accurate approximations of the Born-Oppenheimer potential energy surface. This potential determines many materials…
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper during Chemical Vapor Deposition
Valentina Rein, Hao Gao, Hendrik H. Heenen +10
In recent years, liquid metal catalysts have emerged as a compelling choice for the controllable, large-scale, and high-quality synthesis of two-dimensional materials. At present,…
Quantum state manipulation and cooling of ultracold molecules
Tim Langen, Giacomo Valtolina, Dajun Wang +1
An increasingly large variety of molecular species are being cooled down to low energies in recent years, and innovative ideas and powerful techniques continue to emerge to gain ev…
Three-body recombination in physical chemistry
Marjan Mirahmadi, Jesús Pérez-Ríos
Three-body recombination, or ternary association, is a termolecular reaction in which three particles collide, forming a bound state between two, whereas the third escapes freely.…
Imaging Temperature and Thickness of Thin Planar Liquid Water Jets in Vacuum
Tillmann Buttersack, Henrik Haak, Hendrik Bluhm +3
We present spatially resolved measurements of the temperature of a flat liquid water microjet for varying pressures, from vacuum to 100% relative humidity. The entire jet surface i…
Ultrafast spatiotemporal dynamics of a charge-density wave using femtosecond dark-field momentum microscopy
J. Maklar, P. Walmsley, I. R. Fisher +1
Understanding phase competition and phase separation in quantum materials requires access to the spatiotemporal dynamics of electronic ordering phenomena on a micro- to nanometer l…
Interpreting Ultrafast Electron Transfer on Surfaces with a Converged First-Principles Newns-Anderson Chemisorption Function
Simiam Ghan, Elias Diesen, Christian Kunkel +2
We study the electronic coupling between an adsorbate and a metal surface by calculating tunneling matrix elements H directly from first principles. For this we emplo…
How to measure work functions from aqueous solutions
Michele Pugini, Bruno Credidio, Irina Walter +8
The recent application of concepts from condensed-matter physics to photoelectron spectroscopy (PES) of volatile, liquid-phase systems has enabled the measurement of electronic ene…
Vibrationally Resolved Inner-Shell Photoexcitation of the Molecular Anion C
S. Schippers, P. -M. Hillenbrand, A. Perry-Sassmannshausen +6
Carbon core-hole excitation of the molecular anion C has been experimentally studied at high resolution by employing the photon-ion merged-beams technique at a synchrotr…