Scientific Programme
1. Enabling Technology
PETRA IV will be the synchrotron radiation source with the highest spectral brightness worldwide, reaching the diffraction limit up to X-ray energies of about 10 keV. Due to the unique properties of the source, X-ray methods and techniques will be pushed to its limits and will gain significantly in performance.
The session will present and discuss current and future methods and techniques as well as their potential applications and opportunities in view of PETRA IV.
Organization:
K. Bagschik, M. Stückelberger
2. Energy Harvesting
Our society is challenged by an increase of energy consumption and the negative impact of traditional energy sources. Consequently, materials and technology for the harvesting of renewable energy are critical pillars for a more sustainable use of energy.
Today, the relevant questions in solar-cell research include: How do layers and interfaces look like in solar cells, and how do they act? How can perovskite, chalcopyrite, CdTe, and organic solar modules be manufactured without sacrificing efficiency due to lateral inhomogeneity? How can the life span of photovoltaic installations be increased? How can solar cells be fabricated using green chemistry approaches? Analog questions can be formulated for thermoelectric, piezoelectric, and further materials serving energy harvesting.
PETRA IV will be the ideal tool to tackle these challenges. With unparalleled brilliance, the ultimate 3D X-ray microscope boosts the performance and speed of established techniques and enables a variety of new approaches. For example, in-situ environments adapted to manufacturing conditions will elucidate the synthesis of materials, and operando experiments will shine light on relevant processes in functional devices.
This workshop gives room to discuss experiment ideas and to elaborate on science driving the instrumentation for energy harvesting research.
Involved Techniques:
Scanning X-ray microscopy with modalities X-ray fluorescence (XRF), Wide-angle X-ray scattering (WAXS), Small-angle X-ray scattering (SAXS), X-ray beam induced current (XBIC), X-ray excited optical luminescence (XEOL), ptychography, 3D X-ray diffraction (3D-XRD), Hard X-ray photoelectron spectroscopy (HAXPES), Hard X-ray photoelectron emission microscopy (HAXPEEM), micro- and nanotomography, and more
Organization:
M. Stückelberger, S. Roth, S. Techert, M. Naumova, S. Haas, E. Welter, M. Etter, A. Schökel, W. Caliebe, G. Falkenberg, F. Betram, A.-C. Dippel
3. Energy Storage (I & II)
In the coming decades, the world will face many challenges related to energy storage. Energy storage materials play a key role in efficient, clean, and versatile use of energy, and are crucial for the exploitation of renewable energy to level out meteorological and seasonal variations. Furthermore, the popularization of portable electronics and electric vehicles stimulates the development of energy storage devices, such as batteries and supercapacitors, toward higher power density and energy density. Therefore, energy storage materials cover a wide range of materials and technological approaches from supercapacitors to chemical conversion and storage of gases, most importantly hydrogen.
These material systems are expected to benefit significantly from the new experimental capabilities at PETRA IV, especially the increased coherent fraction can be exploited to study dynamical processes of energy storage materials and devices. The increased coherent fraction translates into greater focused flux and will enable local structure determination even in encapsulated devices such as working batteries. Hence, the goal of this workshop is to highlight novel in-situ and operando measurement approaches in the field of X-ray scattering, X-ray spectroscopy, and X-ray imaging.
Involved Techniques:
Multi-modal X-ray microscopy including X-ray diffraction (XRD), X-ray fluorescence (XRF), Wide-angle X-ray scattering (WAXS), Small-angle X-ray scattering (SAXS), Pair distribution function (PDF) analysis, Raman X-ray scattering; X-ray absorption spectroscopy (XAS), X-ray Raman scattering (XRS), electron spectroscopy, micro- and nanotomography, and more
Organization:
M. Stückelberger, C. Schlueter, M. Etter, S. Roth, H. Gretarsson, A. Stierle, S. Haas, G. Falkenberg, F. Betram, A.-C. Dippel
4. Energy Conversion (I & II)
With its expected ultrahigh brilliance, small source size and high coherent flux, PETRA IV will produce the ultimate X-ray beam to image heterogeneous and homogeneous catalysts down to atomic scale under operando conditions. These unique properties will allow scanning the catalysts with various contrast mechanisms to yield structural and chemical properties with exceptional resolution at surfaces, interfaces and nanostructures. This will enable researchers to address the most challenging open questions in the field of heterogeneous catalysis regarding local structures, material phases, chemical composition, strain distribution, oxidation states, and reaction dynamics of catalysts on all length scales. This will cover everything from size-selected or tailored nanoparticles, to micro-, meso- and macro-porous systems, up to technical catalysts. A crucial focus will be on developing operando methodology, allowing derivation of structure-activity relationships. This information is essential to understand the mechanisms controlling the activity, selectivity, and deactivation of catalysts, providing a foundation for the design and nanofabrication of revolutionary new industrial-scale catalysts with substantially improved properties. Besides that, high flux, small focus, and bunch structure of Petra IV will additionally boost research in the fields of photocatalysis, electrolysis, fuel cells, and further energy-conversion materials that will be covered in this session.
Multi-modal and multi-scale imaging of catalysts under reaction condition is a key category of future experiments at PETRA IV. The goal of this session is to highlight the advanced 3D operando X-ray microscopy and other techniques for revealing the internal hierarchical 3D structure of working catalysts down to the atomic scale, and to identify user demands on experimental capabilities to fully exploit the unique properties of PETRA IV.
Involved Techniques:
X-ray absorption near edge structure (XANES), Extended X-ray absorption fine structure (EXAFS), scanning X-ray microscopy with modalities X-ray fluorescence (XRF), ptychography, Wide-angle X-ray scattering (WAXS), Small-angle X-ray scattering (SAXS), phase-contrast, 3D X-ray diffraction (3D-XRD), photoemission, inelastic scattering, micro- and nanotomography, pump-probe & time-resolved X-ray techniques, and more
Organization:
M. Stückelberger, H. Noei, A. Stierle, T. F. Keller, C. Schlueter, S. Roth, V. Vonk, M. Naumova, F. Betram, C. Shen, A.-C. Dippel, M. v. Zimmermann, G. Falkenberg, T. Sheppard, J.-D. Grunwaldt, S. Techert
5. Structure, Properties, and Processing of Materials (I & II)
Research on new and optimized materials for application in modern industry requires experimental possibilities for the characterization of the microstructure and the resulting mechanical properties. Changes in the microstructure due to industrial processing like, e.g., forming, welding or additive manufacturing, need to be captured in real time. The complexity of the relevant microstructures often requires the exploitation of several modalities to gain information about the topology, crystallographic phases, orientations , and strain/stresses. Examples include the ability to visualize melt solidifation processes in order to precisely tailor grain size and structure, the ability to monitor corrosion processes in order to verify tailored degradation of implant materials, phase transformations or the ability to detect onsets of microscopic cracks during cyclic loading in order to understand the micromechanical mechanisms which ultimately lead to failure of, e.g., engine components or batteries – all of these examples demonstrate the importance of in-situ / in-operando studies. Furthermore, materials testing procedures such as uniaxial and/or thermal loading are applied for model validation and development. Finally, the mapping of residual stresses after processing is an important application.
The involved techniques are diffraction and (simultaneous) small-angle scattering with photon energies up to about 150 keV for penetrating the bulk as well as radiography and tomography, which provide complementary 3D and 4D characterization of materials. Such in-situ or operando experiments require sophisticated sample environments and beamlines with sufficient space and flexibility.
Involved Techniques:
High-energy X-ray diffraction HEXRD, Wide-angle X-ray scattering (WAXS), 3D X-ray diffraction (3DXRD), High-energy small-angle X-ray scattering (HESAXS), Energy-dispersive X-ray diffraction (EDXRD), Micro-Tomography and Nano-Tomography, High speed radiography, and more
Organization:
U. Lienert, P. Staron, C. Krywka, M. Müller, A.-C. Dippel, M. v. Zimmermann
6. Extreme Pressure & Temperature Research in the Field of Materials for Energy and Transport Technology
Many of the physical phenomena including superconductivity, thermoelectricity, ferroelectricity, structural and the correlated electronic and magnetic phase transitions are the key tools for the designing of novel functional materials and for exploration of the new frontiers of material science. Considering real world systems, nature and driving forces behind those phenomena are complex and have not been fully understood. Meanwhile, experimental studies at high-pressure and extreme (high or low) temperatures help to enhance fundamental and applied knowledge about the related processes. This session will be devoted to the science, instrumentation and the essential X-ray techniques related to the exploration of strongly correlated systems and physical phenomena at extreme conditions. The main focus of the session will be directed to new possibilities and future experiments which might become available at the DLSR PETRA IV. Altogether, the planned upgrade will make PETRA IV the most brilliant synchrotron source at high energies, providing the science communities with new groundbreaking experimental facilities dedicated to the exploration of strongly correlated phenomena at extreme conditions. We discuss the new science possible due to the small source size and the increase of the X-ray beam coherence.
Involved Techniques:
X-ray diffraction (focused and unfocused, on powders and single crystals), Scattering on amorphous and liquid materials, Absorption Contrast Imaging (Radiography), Phase Contrast Imaging, Time-resolved Micro-tomography, Near-field and Far-field High Energy Diffraction Microscopy, Coherent Bragg Diffraction Microscopy, Scanning transmission X-ray Microscopy, Combined spectroscopy (XES, XANES, EXAFS, XRS, fluorescence, etc.) and X-ray diffraction, Ptychography, Nuclear forward scattering, Nuclear Inelastic Scattering, Synchrotron Mössbauer source, and more
Organization:
H. P. Liermann, R. Farla, K. Glazyrin, I. Sergeev
7. CMWS in Energy and Transport Technology
The Centre for Molecular Water Science (CMWS) brings together key experts from different areas of water-related sciences with the common goal of achieving a detailed molecular understanding of water. This includes thedynamic processes in bulk water and at water interfaces, which are highly relevant for chemistry, biology, earth science, and the environment as well as for technology. The scope of the CMWS will range from studies of the fundamental properties of water to its role in real-time chemical dynamics, biochemical and biological reactions. It will equally cover questions in geo- and astroscience, environmental and climate research and address the need for water-based energy technologies. The CMWS research agenda will generate the necessity for new experimental capabilities and will in particular benefit from future light sources such as PETRA IV.
This session will focus on the Energy-Water Nexus and address modern energy harvesting and storage technologie and the role of water and green hydrogen in that context.
Organization:
C. Goy, F. Lehmkühler, G. Grübel
