CatLab Lectures 2023/24

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CatLab Lectures Programme 2023/24

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• 20.10.2023 Rutger Schlatmann | Tailoring thin films for catalysis: Thin film growth methods and properties

  Helmholtz-Zentrum Berlin für Materialien und Energie, University of Applied Sciences Berlin

• 27.10.2023 Franziska Hess | Modelling catalyst degradation through experiment and computation

  Technische Universität Berlin

  Abstract

  Catalysts degrade over time during reactor operation, resulting in loss of activity, as
  well as selectivity. A variety of physical and chemical phenomena contribute toward
  catalyst degradation, such as particle growth, coking, poisoning, or chemical reactions
  between the catalyst and the reaction medium, or between the active material and the
  catalyst support. Catalyst degradation is not always well-understood, and improving a
  catalyst’s life time is often a trial-and-error process. This lecture will cover the
  fundamental causes of typical catalyst deactivation phenomena, introduce
  computational and experimental techniques to analyse catalyst degradation, and
  demonstrate practical examples to a rational approach to make catalysts more
  resistant to degradation.

• 03.11.2023 Helmut Kuhlenbeck | Model systems in catalysis research

  Fritz Haber Institute

  Abstract

  Model catalysts are specifically designed to address the complexity issue in catalysis.
  Real catalysts are very complex, which makes them a nightmare for scientists seeking
  to understand how these systems work. Typically, only a small part of the catalyst’s
  compositional and structural spectrum is relevant for the catalytic process.
  Consequently, much of the spectral and structural information stems from irrelevant
  parts of the catalyst, making the identification of relevant components a non-trivial and
  error-prone task.

  One strategy to handle this issue is the use of model systems, which are simplified
  versions of real catalysts. Simpler, more straight-forward experimental data may be
  expected. The models may be crystalline but less simple versions could also be made.
  There is a significant probability that the catalytically relevant active sites are not part
  of the structural and compositional spectrum of the as-prepared model, and therefore
  systematic modifications are a central part of the approach, permitting to identify the
  catalytically relevant structures. A central aspect of the model catalyst approach is an
  atomic-scale characterization as a pre-requisite to understand structure-reactivity
  relationships on a microscopic level. In this lecture, I will introduce the key concepts of
  model catalysis, give a short historical overview, introduce some implementations, their
  limitations and benefits, as well as provide some examples.

• CHANGED VENUE: “Kino Saal”, Magnusstr. 2, 12489 Berlin 10.11.2023 Thomas Risse | Microwave absorption: Operando EPR and MCPT as tools to characterize heterogeneous  gas phase catalysts

  Freie Universität Berlin

  Abstract

  It is well established that many heterogeneous catalysts encounter substantial
  changes of their properties if comparing the catalyst under turn-over conditions with
  those found ex-situ. These changes encompass not only structural but also electronic
  properties rendering a detailed characterization still challenging. A variety of
  characterization techniques have been developed in recent years
  to investigate catalytic systems under operando conditions. In this respect it is
  important to realize that none of these methods allows to obtain a complete picture
  which requires on the one hand the combination of different techniques and on the
  other hand knowledge about available techniques and their potential use and their
  limitations.

  To this end, the presentation will focus on electron paramagnetic resonance (EPR)
  spectroscopy as well as the microwave cavity perturbation technique (MCPT),
  which are two methods out of the toolbox of operando methods. [1-3] These two
  methods allow to elucidate the presence and properties of paramagnetic species
  (EPR) and the dielectric properties of the catalyst (MCPT), respectively. Using
  catalytically important systems in gas phase catalysis we will discuss experimental
  aspects, the ability of these methods to provide important insights into the system
  under operando conditions as well as the limitations of the techniques and ways to
  mitigate these e.g. by combination with complementary techniques.

• 17.11.2023 Thomas Lunkenbein | Operando electron microscopy

  Fritz Haber Institute

  Abstract

  Heterogeneous catalysis is considered one of the key technologies in prospective energy
  conversion scenarios. Yield, efficiency, and lifetime of heterogeneous catalysts will become of utmost importance and the demand of novel high-performance catalysts fulfilling the above-mentioned criteria will rise tremendously. To cope with the prospective high demand for these functional solids, current catalyst development approaches that are based on empirical optimization may become insufficient and should be replaced by knowledge-based catalyst design strategies.

  This requires a detailed, scale-bridging understanding of the structure of the entire catalyst
  system. However, astatic structural understanding would be insufficient as catalysts are
  metastable compounds and undergo structural changes under catalytic working conditions. The extent of the changes depends on the local chemical potential. As such the local chemical potential influences the structures of the active sites and thus the catalytic performance. To complicate the problem, the structures of the active catalysts are often only stable under working conditions and in order to analyse them, investigations under working conditions are required in which structure and performance can be directly correlated, so called operando measurements.

  In some cases, less than 1% of the accessible surface area is active and, thus, active
  sites are a very local concept for describing the functioning of a catalyst. Besides the local
  chemical potential, their structures also depend on the real structure of the
  material, which cannot be detected by structural averaging techniques. To capture these local structural details, electron microscopy is the method of choice.

  In this lecture I will introduce the scale-bridging use of operando electron microscopy focusing on thermal gas phase reaction. Furthermore, I will show the potential and possibilities in capturing the working structure of heterogeneous catalysts and discuss the limitations of the techniques for catalysis research.

• 24.11.2023 Serhiy Cherevko | Applications of ICP-MS in electrocatalysis research

  Helmholtz Institute Erlangen-Nürnberg

• 01.12.2023 Olga Kasian | Thin film electrocatalysts for long term energy conversion and storage

  Helmholtz-Zentrum Berlin für Materialien und Energie, Friedrich Alexander University Erlangen-Nürnberg

   

• 08.12.2023 Renske M. van der Veen | Fast electrons and hard X-rays for unravelling atomic-scale dynamics in homogeneous and heterogeneous catalysis

  Helmholtz-Zentrum Berlin für Materialien und Energie, Technische Universität Berlin, University of Illinois at Urbana-Champaign

  Abstract

  The increasing demand for renewable and low-cost energy motivates intensive
  research aimed at developing, characterizing and optimizing materials that can
  efficiently convert (sun) light into usable energy in the form of electricity or chemical
  fuels. Conventional characterization techniques either lack the spatial resolution
  necessary to resolve individual atoms, or they lack the temporal resolution required to
  capture structural rearrangements as they evolve. Our group develops complementary
  X-ray and electron-based tools to visualize light-induced processes in materials on
  atomic length and time scales. In this lecture I will give an introduction to the
  experimental methods of ultrafast X-ray spectroscopy and ultrafast electron
  microscopy and talk about a couple of examples of how these methods are used to
  reveal carrier and structural dynamics in heterostructured nanomaterials and
  molecular photocatalysts.

• 15.12.2023 Silvia Bordiga | Understanding  surfaces through the use of probe molecules and in situ spectropies

  University Turin

   

• 12.01.2024 Regina Palkovits | Heterogeneous catalysis as enabler of circular economy

  RWTH Aachen, Max Planck Institute for Chemical Energy Conversion Mülheim an der Ruhr

  Abstract

  The guidelines of sustainable development require a transformation of today’s linear
  chemical industry with the aim of closed carbon cycles. In this process, renewable
  energy can be used as an energy/heating source and to provide chemical redox
  equivalents, e.g. in the form of hydrogen or electrons. Catalysts are essential to enable
  selective chemo-, bio-, or even electrocatalytic reactions under the dynamic supply of
  resources. As carbon sources, fossil raw materials must be used as carbon efficiently
  as possible in a transition phase and consistently replaced by renewable carbon
  sources such as CO2 and biomass, as well as recycling streams, e.g. in the form of
  plastics. Catalysts enable raw materials that are highly diverse in functionality and
  reactivity to be selectively converted and efficient value chains to be developed aiming
  to realize overall energy-efficient carbon cycles. In particular, chemical energy storage
  molecules that allow transport and storage of renewable energy will gain importance
  and strengthen the coupling of the chemical and energy sectors.

  Herein, novel concepts in catalyst design will be discussed focusing on solid molecular
  catalysts for CO2 activation, novel biomass transformations and the contribution of
  catalysis in life cycle assessment as well as the future role of a potentially
  electrified (bio)refinery.

  D. Yan, C. Mebrahtu, S. Wang, R. Palkovits, Angew. Chem. Int. Ed. 2022, 62, e202214333: Innovative
  Electrochemical Strategies for Hydrogen Production: From electricity input to electricity
  output. https://doi.org/10.1002/anie.202214333
  A. Iemhoff, M. Vennewald, R. Palkovits, ChemCatChem. 2022 62, e202212015: Single-atom catalysts on covalenttriazine frameworks: at the crossroad between homogenous and heterogeneous
  catalysis. https://doi.org/10.1002/anie.202212015
  A. L. Merchan, T. Fischöder, J. Hee, M. S. Lehnertz, O. Osterthun, S. Pielsticker, J. Schleier, T. Tiso, L. M. Blank, J. Klankermayer, R. Kneer, P. Quicker, G. Walther, R. Palkovits, Green Chem. 2022, 24, 9428-9449: Chemical
  recycling of bioplastics: technical opportunities to preserve chemical functionality as path towards a circular economy. https://doi.org/10.1039/D2GC02244C
  M. S. Lehnertz, J. B. Mensah, R. Palkovits*, Green Chem. 2022, 24, 3957-3963: Chemical recycling of polyhydroxybutyrate and polylactic acid over ruthenium supported on ceria. https://doi.org/10.1039/D2GC00216G

• 19.01.2024 Emil Hensen | Catalysis at interfaces: Atom-efficient metal catalysts based on single atoms, clusters, and nanoparticles

  Eindhoven University of Technology

   

• 26.01.2024 Michael Claeys | Magnetic characterisation of catalysts for energy applications

  University of Cape Town

  Abstract

  The University of Cape Town, in collaboration with Sasol Technology, has developed
  an operandomagnetometer, which allows to study ferromagnetic catalysts at industrial
  conditions of high temperature (>800°C) and high pressure (>50 bar) [1]. This unique
  set-up can be used to study phase changes (such as reduction, oxidation and
  carburization) as well as crystallites size changes. In certain cases even crystallite size
  distributions of the magnetic phase can be obtained. Importantly, while studying these
  changes, fully relevant kinetic data can be measured on this flow through fixed bed
  reactor system so that the catalyst performance can be directly linked to its current
  state. Examples of investigations on energy materials conducted with the set-up, which
  inform catalyst and process design, will be presented and these include, inter alia:
  

  • Crystallite size dependent oxidation of cobalt, iron and nickel CO hydrogenation
    catalysts.
  • Sintering of a cobalt and nickel CO hydrogenation catalyst as function of process
    conditions.
  • Role of carbides in cobalt based Fischer-Tropsch synthesis.
  • Leaching of cobalt from Pt-Co fuel cell catalysts.

  [1] M. Claeys, E. van Steen, J.L Visagie, J. van de Loosdrecht, PCT Patent WO2010/004419
  A2, 9 July 2009.

• 02.02.2024 Christopher Kley | Uncovering electrocatalysts and electrochemical interfaces in situ at the nanoscale

  Fritz Haber Institute, Helmholtz-Zentrum Berlin für Materialien und Energie

   

• 09.02.2024 Kasia Skoropska | Characterisation of the catalyst

  Fritz Haber Institute

   

• 16.02.2024 Gregor D. Wehinger | Multiscale studies and engineering of surface-reactive systems

  Clausthal University of Technology, Karlsruhe Institute of Technology

  Abstract

  Tomorrow’s chemicals are facing massive transitions due to the need for an alternative
  energy input, changing feedstock, limited resources, varying cost structures, etc.
  Chemical and reaction engineering is in charge for chemical and electrochemical
  reactions to meet the upcoming business and technical objectives. For simultaneous
  process-product design, a multiscale understanding provides opportunities to consider
  phenomena on different time and length scales of the reaction system.
  In this talk, I will show how multiscale studies enable knowledge-based engineering of
  surface-reactive systems, such as heterogeneous catalytic, electrochemical, and
  multiphase processes. Examples are presented of catalytic fixed-bed reactors with an
  emphasis of particle-resolved CFD simulations taking the actual bed structure into
  account, the coupling with microkinetics, and scale bridging to the plant level. Some of
  those methods have been transferred successfully to stationary batteries, where pore-
  scale and cell-scale simulations reveal interactions between transport phenomena and
  battery performance. Finally, the study of a micro bubble column reactor is
  discussed showing opportunities and challenges of using multiscale approaches in
  multiphase systems.

• 23.02.2024 Roel van de Krol | Recent insights on the generation, transport, and separation of charge carriers in metal oxide photocatalysts

  Helmholtz-Zentrum Berlin für Materialien und Energie, Technische Universität Berlin