Explanipedia

Revealing the Bonding Nature and Electronic Structure of Early-Transition-Metal Dihydrides Open

Curran Kalha, Laura E. Ratcliff, Giorgio Colombi, Christoph Schlueter, B. Dam , et al. · 2024

Metal hydrides are potential candidates for applications in hydrogen-related technologies, such as energy storage, hydrogen compression, and hydrogen sensing, to name just a few. However, understanding the electronic structure and chemical…

Surface electronic structure of Ni-doped Open

Mert Taskin, Zbyněk Novotný, Nicoló Comini, J. Trey Diulus, Matthias Hengsberger , et al. · 2023

Magnetite (Fe3O4) doped with earth-abundant metals has emerged as a promising catalyst material, with Ni-doped magnetite (Ni/Fe3O4) being a cost-effective, durable, and highly active material for photocatalytic and electrochemical water ox…

Surface electronic structure of Ni-doped Fe$_3$O$_4$(001) Open

Mert Taskin, Zbyněk Novotný, Nicoló Comini, J. Trey Diulus, Matthias Hengsberger , et al. · 2023

The main data analysis was done with Wavemetrics Igor Pro 7.08 using user-defined macros. General Remarks The calibration factor for our electron analyzer in the laboratory source XPS measurements was determined based on the peak positions…

Surface electronic structure of Ni-doped Fe$_3$O$_4$(001) Open

Mert Taskin, Zbyněk Novotný, Nicoló Comini, J. Trey Diulus, Matthias Hengsberger , et al. · 2023

The main data analysis was done with Wavemetrics Igor Pro 7.08 using user-defined macros. General Remarks The calibration factor for our electron analyzer in the laboratory source XPS measurements was determined based on the peak positions…

Stability of Iridium Single Atoms on Fe3O4(001) in the mbar Pressure Range Open

Nicoló Comini, J. Trey Diulus, Gareth S. Parkinson, Jürg Osterwalder, Zbyněk Novotný · 2023

Stable single metal adatoms on oxide surfaces are of great interest for future applications in the field of catalysis. We studied iridium single atoms (Ir₁) supported on a Fe₃O₄(001) single crystal, a model…

Revealing the bonding nature and electronic structure of early transition metal dihydrides Open

Curran Kalha, Laura E. Ratcliff, Giorgio Colombi, Christoph Schlueter, B. Dam , et al. · 2023

Hydrogen as a fuel plays a crucial role in driving the transition to net zero greenhouse gas emissions. To realise its potential, obtaining a means of efficient storage is paramount. One solution is using metal hydrides, owing to their goo…

Formation of on Open

Mert Taskin, Zbyněk Novotný, Matthias Hengsberger, Jürg Osterwalder · 2023

Magnetite (Fe₃O₄) doped with earth-abundant metals has become a promising catalyst material. In particular, Ni-doped magnetite (Ni/Fe₃O₄) has been demonstrated as a cheap, robust, and catalytical…

Protected ultrathin cuprous oxide film for photocatalysis: Excitation and relaxation dynamics Open

Jan Beckord, J. Trey Diulus, Zbyněk Novotný, Jürg Osterwalder, Matthias Hengsberger · 2023

In the search for cost-effective ways to produce green hydrogen, harnessing the most abundant renewable energy source - sunlight - directly through photoelectrochemical water splitting is highly desirable. Cuprous oxide (Cu₂O) h…

Protected ultrathin cuprous oxide film for photocatalysis: Excitation and relaxation dynamics Open

Jan Beckord, J. Trey Diulus, Zbyněk Novotný, Jürg Osterwalder, Matthias Hengsberger · 2023

The main data analysis was done with Wavemetrics Igor Pro 7.08 using user-defined macros. Data files given in *.itx format are human-readable text files that can be opened in Igor Pro. User-defined macros are available from the authors upo…

Protected ultrathin cuprous oxide film for photocatalysis: Excitation and relaxation dynamics Open

Jan Beckord, J. Trey Diulus, Zbyněk Novotný, Jürg Osterwalder, Matthias Hengsberger · 2023

The main data analysis was done with Wavemetrics Igor Pro 7.08 using user-defined macros. Data files given in *.itx format are human-readable text files that can be opened in Igor Pro. User-defined macros are available from the authors upo…

Dynamic Equilibrium at the HCOOH-Saturated TiO2(110)–Water Interface Open

Fernanda Brandalise Nunes, Nicoló Comini, J. Trey Diulus, Thomas Huthwelker, Marcella Iannuzzi , et al. · 2023

Carboxylic acids bind to titanium dioxide (TiO₂) dissociatively, forming surface superstructures that give rise to a (2 × 1) pattern detected by low-energy electron diffraction. Exposing this system to water, however, leads to a…

Towards 2D-confined catalysis on oxide surfaces Open

J. Trey Diulus, Zbyněk Novotný, Nanchen Dongfang, Jan Beckord, Yasmine S. Al-Hamdani , et al. · 2023

Model catalyst for confined catalysis studies consisting of an ordered Cu_2-xO film grown between Cu(111) and a h‑BN overlayer.

Unraveling Atomic and Electronic Surface Structure and Dynamics from Angular Photoelectron Distributions Open

Matthias Hengsberger, Luca Castiglioni, Jürg Osterwalder · 2022

Angle-resolved photoelectron spectroscopy (ARPES) is a powerful tool in solid state sciences. Beside the direct measurement of the energy-momentum dispersion relation, the angular distribution of the photoelectron current reveals the struc…

Dynamic equilibrium at the HCOOH-saturated TiO2(110)-water interface Open

Fernanda Brandalise Nunes, Nicoló Comini, J. Trey Diulus, Thomas Huthwelker, Marcella Iannuzzi , et al. · 2022

Experimental and computational, archived in a single zip file

Dynamic equilibrium at the HCOOH-saturated TiO2(110)-water interface Open

Fernanda Brandalise Nunes, Nicoló Comini, J. Trey Diulus, Thomas Huthwelker, Marcella Iannuzzi , et al. · 2022

Experimental and computational, archived in a single zip file

Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in O Open

Chiara Ricca, Lisa Grad, Matthias Hengsberger, Jürg Osterwalder, Ulrich Aschauer · 2021

Cu2O has appealing properties as an electrode for photoelectrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate carr…

Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ2 on Ag(110) Open

Patrick Kretz, Kay Waltar, Yan Geng, Christian Metzger, M. Graus , et al. · 2021

Published Manuscript: Kretz, P., K. Waltar, Y. Geng, C. Metzger, M. Graus, A. Schöll, F. Reinert, S.-X. Liu, S. Decurtins, M. Hengsberger, J. Osterwalder, and L. Castiglioni (2021). "Adsorption geometry and electronic structure of a charge…

Charge carrier dynamics and self-trapping on Open

Lisa Grad, Fabian O. von Rohr, Matthias Hengsberger, Jürg Osterwalder · 2021

Antimony sulfide (Sb₂S₃) is a promising material for solar energy conversion. It consists of earth-abundant elements with a low toxicity and high stability. Furthermore, it shows suitable optical and electronic proper…

Charge carrier dynamics and self-trapping on Sb2S3(100) Open

Lisa Grad, Fabian O. von Rohr, Matthias Hengsberger, Jürg Osterwalder · 2021

Full data set for publication: Published Manuscript: Lisa Grad, Fabian O. von Rohr, Matthias Hengsberger, Jürg Osterwalder Charge carrier dynamics and self-trapping on Sb2S3(100) Physical Review Materials 5, 075401 (2021) DOI: 10.1103/Phys…

Polarization-sensitive reconstruction of transient local THz fields at dielectric interfaces Open

Kay Waltar, Johannes Haase, Rui Pan, Torsten Golz, Pavel Kliuiev , et al. · 2021

Published Manuscript: Waltar, K., J. Haase, R. Pan, T. Golz, P. Kliuiev, M. Weinl, M. Schreck, S. Bajt, N. Stojanovic, J. A. van Bokhoven, M. Hengsberger, J. Osterwalder and L. Castiglioni "Polarization-sensitive reconstruction of transien…

Combined orbital tomography study of multi-configurational molecular adsorbate systems Open

Pavel Kliuiev, Giovanni Zamborlini, Matteo Jugovac, Yeliz Gürdal, Karin von Arx , et al. · 2021

Original data files used for the publication: Kliuiev, P., G. Zamborlini, M. Jugovac, Y. Gurdal, K. v. Arx, K. Waltar, S. Schnidrig, R. Alberto, M. Iannuzzi, V. Feyer, M. Hengsberger, J. Osterwalder and L. Castiglioni (2019). "Combined orb…

Factors influencing surface carbon contamination in ambient-pressure x-ray photoelectron spectroscopy experiments Open

Nicoló Comini, Thomas Huthwelker, J. Trey Diulus, Jürg Osterwalder, Zbyněk Novotný · 2021

Carbon contamination is a notorious issue that has an enormous influence on surface science experiments, especially in near-atmospheric conditions. While it is often mentioned in publications when affecting an experiment’s results, it is m…

Immobilization of molecular catalysts on electrode surfaces using host–guest interactions Open

Laurent Sévery, Jacek Szczerbiński, Mert Taskin, Isik Tuncay, Fernanda Brandalise Nunes , et al. · 2021

CCDC 1996727: Experimental Crystal Structure Determination Open

Laurent Sévery, Jacek Szczerbiński, Mert Taskin, Isik Tuncay, Fernanda Brandalise Nunes , et al. · 2021

CCDC 1996728: Experimental Crystal Structure Determination Open

Laurent Sévery, Jacek Szczerbiński, Mert Taskin, Isik Tuncay, Fernanda Brandalise Nunes , et al. · 2021

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1996726: Experimental Crystal Structure Determination Open

Laurent Sévery, Jacek Szczerbiński, Mert Taskin, Isik Tuncay, Fernanda Brandalise Nunes , et al. · 2021

Thermal oxidation of Ru(0001) to RuO2(110) studied with ambient pressure x-ray photoelectron spectroscopy Open

J. Trey Diulus, Benjamin Tobler, Jürg Osterwalder, Zbyněk Novotný · 2021

The thermal oxidation of Ru(0001) has been extensively studied in the surface science community to determine the oxidation pathway towards ruthenium dioxide (RuO 2 (110)), improving the knowledge of Ru(0001) surface chemistry. Using time-l…

Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu$_2$O Open

Chiara Ricca, Lisa Grad, Matthias Hengsberger, Jürg Osterwalder, Ulrich Aschauer · 2021

Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate …

Adsorption geometry and electronic structure of a charge-transfer-complex: TTF-PYZ2 on Ag(110) Open

Patrick Kretz, Kay Waltar, Yan Geng, Christian Metzger, M. Graus , et al. · 2020

We study electronic properties and adsorption geometries of the molecular charge-transfer-complex tetrathiafulvalene-dipyrazine on Ag(110). Using a combination of angle-resolved photoemission and electron diffraction, supported by DFT-base…

Photoexcited charge carrier dynamics in Open

Lisa Grad, Fabian O. von Rohr, Jianzhou Zhao, Matthias Hengsberger, Jürg Osterwalder · 2020

Antimony selenide (Sb2Se3) consists of one-dimensional ribbons that are van der Waals bonded to each other. Due to its favorable optoelectronic properties, it is a promising material for solar energy conversion. Owing to its narrow direct …

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