Projects

HEIST (2020-2024)

Project title:
High-temperature Electrochemical Impedance Spectroscopy Transmission electron microscopy on energy materials

Project description:
The great challenge for humankind is to mitigate climate changes by replacing fossil fuels with renewables. We will have to store excess energy produced by solar and wind power for usage in dark and calm weather. Excess energy can be stored electrochemically by high-temperature electrolysis cells as they have the potential to store vast amounts of electrical energy by conversion to chemical fuels. Solid oxide electrolysis cell (SOEC) technology is well known and proven, but not price competitive with storage of fossil fuels.

To drive the SOEC research towards a breakthrough, it is critical to determine relations between electrochemical activity and structure/composition in the cells. Electrochemical impedance spectroscopy (EIS) is a very powerful method for determining the contribution from processes in the cell to the overall activity. EIS cannot show structure/composition which is offered by transmission electron microscopy (TEM). Conventional TEM, however, does not offer insight into active cells, but only post mortem analysis.
High-temperature electrochemical TEM is extremely challenging because this requires a) that hard and brittle ceramic cells are thinned to electron transparency (ca. 100 nm), b) that the cells are carefully designed to allow for characterization of the layer interfaces, and c) that the cells are characterized during exposure of i) reactive gasses, ii) electrical potentials and iii) temperatures up to ca. 800 °C.

The aim of HEIST is to cover step a) to c), i.e. to transform TEM into an electrochemical lab for high-temperature electrochemical experiments including EIS. HEIST will give us “live” images of nanostructures and composition during
operation of the electrochemical cells and thus disclose structure-activity relations. This is important, because the structures of nanomaterials will transform depending on the electrochemical environment, and post mortem analysis does not offer a correct representation of the active nanostructures.

Layman's description:
The transition from fossil fuels to renewables hinges on the successful storage of excess solar and wind energy for use when there is poor light or weak winds. One promising energy storage method is high-temperature electrolysis via solid oxide electrolysis cells (SOECs) but this is far costlier than fossil fuel storage. To produce SOECs cost-effectively, the relationship between electrochemical activity and structure/composition needs to be understood. Electrochemical impedance spectroscopy (EIS) is not able to reveal structure/composition but accurately represents electrochemical activity. Transmission electron microscopy (TEM) is good for viewing structures but not activity. The EU-funded HEIST project intends to develop high-temperature electrochemical TEM for studying structure-activity relationships in the active nanostructures of SOECs in real time.

PI: Søren Bredmose Simonsen

ISA Participants: Waynah Lou Dacayan (PhD Student), Zhongtao Ma (PhD Student)

SOLID (2020-)

Project title: 
A center of-excellence - ESS lighthouse on hard materials science

Project description: 
SOLID is a fundamental research center within hard materials. The Center will conduct groundbreaking research in the field of neutrons and synchrotron-based 3D imaging with the goal of leading the way to a paradigm shift in materials research: from “trial and error” to “materials design by computing”. 14 leading Danish groups with interest spanning from batteries, metals and 3D printing over glass for bone medicine and archeology come together with a common unique mission: to visualize materials on all length scales and link these to multiscale understanding and modeling. SOLID will train approx. 100 neutron users and ensure a strong basis for growth. SOLID is based in the ESS instruments ODIN & BEER as well as DMSC and has built three complementary international X-ray infrastructures. 35 companies are affiliated with the imaging industry portal. The overall research environment will be the largest of its kind in the world.

ISA Participants: Luise Theil Kuhn (Project Participant)

MUMMERING (2018-2021)

Project title: 
MUltiscale, Multimodal and Multidimensional imaging for EngineeRING

Project description: 
The overarching goal of MUMMERING is to create a research tool that encompasses the wealth of new 3D imaging modalities that are surging forward for applications in materials engineering, and to create a doctoral programme that trains 15 early stage researchers (ESRs) in this tool. This is urgently needed to prevent that massive amounts of valuable tomography data ends on a virtual scrapheap.

The challenge of handling and analysing terabytes of 3D data is already limiting the level of scientific insight that is extracted from many data sets. With faster acquisition times and multidimensional modalities, these challenges will soon scale to the petabyte regime. To meet this challenge, we will create an open access, open source platform that transparently and efficiently handles the complete workflow from data acquisition, over reconstruction and segmentation to physical modelling, including temporal models, i.e. 3D “movies”. We consider it essential to reach this final step without compromising scientific standards if 3D imaging is to become a pervasive research tool in the visions for Industry 4.0.

PI: Jens Wenzel Andreasen

ISA Participants: Azat Slyamov (PhD Student)

Project web-site

SEEWHI (2016-2021)

Project title: 
Solar Energy Enabled for the World by High-resolution Imaging

Project description: 
THE GOAL We will derive new and fundamental insight in the relation between nano-scale structure and the performance of 3rd generation solar cells, and determine how to apply this in large-scale processing.

THE CHALLENGES We currently have a superficial understanding of the correlations between structure and performance of photovoltaic heterojunctions, based on studies of small-scale devices and model systems with characterization techniques that indirectly probe their internal structure. The real structures of optimized devices have never been “seen”, and in devices manufactured by large-scale processing, almost nothing is known about the formation of structures and interfaces.

THE SCIENCE We will take a ground-breaking new approach by combining imaging techniques where state of the art is moving in time spans on the order of months, with ultrafast scattering experiments and modelling. The techniques include high resolution X-ray phase contrast and X-ray dark-field tomography, in situ small and wide angle X-ray scattering, resonant scattering and imaging and time resolved studies of charge transport and transfer. To relate our findings to device performance, we will establish full 3D models of charge generation and transport in nano-structured solar cells.

THE FOCUS Solution cast solar cells is the only technology that promises fast and cheap industrial scaling, and it is consequently the focus of our efforts. They require a tight control of processing conditions to ensure that the proper nano-structure is formed in the photoactive layers, with optimal contacts to charge transport layers and interfaces. The prime contenders are non-toxic polymer and kesterite solar cells.

THE IMPACT Our results may advance 3rd generation, solution cast solar cells to meet the “unification challenge” where high efficiency, stability and cheap processing combines in a single technology, scalable to the level of gigawatts per day, thus becoming a centerpiece in global energy supply.

Layman's description:
Realizing new, cheaper and more effective solar cells by fundamental insight into their structure at the nanoscale and correlate this with performance through modelling. The results should lead to devices that are scalable to large areas.

PI: Jens Wenzel Andreasen 

ISA Participants: Christian Rein (Postdoc), Moises Espindola Rodriguez (Postdoc), Anders Skovbo Gertsen (PhD Student), Marcial Fernández Castro (PhD Student), Mariana Mar Lucas (PhD Student)

Project web-site

ARENHA (2020-2024)

Project title: 
Advanced materials and Reactors for ENergy storage tHrough Ammonia

Project description: 
ARENHA (Advanced materials and Reactors for ENergy storage tHrough Ammonia) is a European project with global impact seeking to develop, integrate and demonstrate key material solutions enabling the use of ammonia for flexible, safe and profitable storage and utilization of energy. Ammonia is an excellent energy carrier due to its high energy density, carbon-free composition, industrial know-how and relative ease of storage. ARENHA demonstrates the feasibility of ammonia as a dispatchable form of large-scale energy storage, enabling the integration of renewable electricity in Europe and creating global green energy corridors for Europe energy import diversification.

Innovative Materials are developed and integrated into ground-breaking systems in order to demonstrate a flexible and profitable power-to-ammonia value chain but also several key energy discharge processes. Specifically, ARENHA will develop advanced SOEC for renewable hydrogen production, catalysts for low temperature/pressure ammonia synthesis, solid absorbents for ammonia synthesis intensification and storage, catalysts and membrane reactors for ammonia decomposition. Energy discharge processes studied in ARENHA tackle various applications from ammonia decomposition into pure H2 for FCEV, direct ammonia utilization on SOFCs for power and ICEs for mobility.

ARENHA will demonstrate the full power-to-ammonia-to-usage value chain at TRL 5 and the outstanding potential of green ammonia to address the issue of large-scale energy storage through LCA, sociological survey, techno-economic analysis deeply connected with multiscale modelling.

ARENHA’s ambitious objectives will be tackled by a consortium of 11 partners from universities, RTO, SMEs and large companies covering the adequate set of skills and market positioning. Considering the global nature of the ARENHA project, the consortium will strongly interact with its international advisory board composed of key energy stakeholders from the 5 continents.

ISA Participants: Didier Blanchard (Project Participant)

Project web-site

BIG-MAP (2020-)

Project title: 
Battery Interface Genome – Materials Acceleration Platform

Project description: 
With the development of the Battery Interface Genome – Materials Acceleration Platform (BIG-MAP), we are proposing a radical paradigm shift in battery innovation, which will lead to a dramatic speed-up in the battery discovery and innovation time; reaching a 5-10 fold increase relative to the current rate of discovery within the next 5-10 years. BIG-MAP relies on the development of a unique R&D infrastructure and accelerated methodology that unites and integrates insights from leading experts, competences and data across the entire battery (discovery) value chain with Artificial Intelligence (AI), High Performance Computing (HPC) and autonomous synthesis robotics. In short, BIG-MAP aims to reinvent the way we invent batteries and to develop core modules and Key Demonstrators of a Materials Acceleration Platform specifically designed for accelerated discovery of battery materials and interfaces.
 
This will not be achievable in the three years of this project, but the BIG-MAP consortium has identified a set of Specific Objectives and 12 Key Demonstrators for the 3-year ramp-up phase that will develop and demonstrate the infrastructural backbone needed to achieve a 5-10 fold acceleration in the discovery process. In summary, the specific objectives are:

• Develop the scientific and technological building blocks and models for accelerated battery discovery

• Deliver cross-cutting initiatives to ensure implementation and use of project data and results across the battery discovery value chain

• Disseminate and reach the battery community throughout the battery value chain, to boost EU advanced battery development and manufacturing
  

ISA Participants: Poul Norby (Project Participant)

Project web-site

AiMade (2019-2022)

Project title: 
Autonomous Materials Discovery

Project description: 
The current scientific paradigm for discovery of clean energy materials is based on human intuition about how specific properties are connected to their design and composition. The goal of Autonomous Materials Discovery (AiMade), at the Department of Energy Conversion and Storage (DTU Energy) at the Technical University of Denmark (DTU), is to challenge this mindset. In this four year initiative, we will strive to establish an platform for autonomous materials discovery of clean energy materials through creation of a common data-infrastructure and holistic ontology for materials data, connecting data and information from simulations, characterization, synthesis and testing, spanning multiple time- and length-scales.

The structure of AiMade revolves around four central competence areas plus a general machinery, each led by their own expert and encompassing a wide range of different competences required for the full autonomous materials design loop.
In ISA we participate actively in pillar 4.

4. Autonomous synthesis and characterization
The purpose of this area is to integrate the work from all the other competence areas into a complete autonomous design loop, which goes from the computational prediction to the experimental synthesis and characterization.

ISA Participants: Jens Wenzel Andreasen (Project Participant), Poul Norby (Project Participant)

Project web-site

SMART (2019-2023)

Project title: 
Structure of Materials in Real Time - ESS lighthouse

Project description: 
Det er Fyrtårnets vision at udføre banebrydende ny neutronforskning og derved blive verdensførende inden for Funktionelle Materialers Atomare Strukturer. SMART vil blive bannerfører i et videnskabeligt paradigmeskift hen mod studier af ”Real Materials in Real Time under Real Conditions”, hvilket kan føre til grundvidenskabelig opdagelse af helt nye fysiske og kemiske fænomener, men samtidig også drastisk reducere den tid det tager at udvikle materialer til industriel anvendelse.

Visionen kan realiseres vha. den stærke tilknytning til de revolutionerende nye danske beamlines, HEIMDAL på ESS og DanMAX på MAXIV. SMART vil blive fysisk forankret på AU i et internationalt
excellent forskningsmiljø, men samtidig bygge på et exceptionelt nationalt vækstlag af unge forskere, der kan udnytte ESS på en langsigtet tidshorisont. Med deltagelse af 6 danske universiteter, et GTS institut og en række store danske virksomheder vil Fyrtårnet kunne forestå en gennemgribende national kompetence- og kapacitetsopbygning på et felt af stor faglig, strategisk og økonomisk betydning for Danmark.

ISA Participants: Poul Norby (Project Participant)

NHS (2017-2020)

Project title: 
Neutrons for Heat Storage

Project description: 
The Neutrons for Heat Storage (NHS) project aims to develop a thermochemical heat storage system for low-temperature heat storage (40-80 °C). Thermochemical heat storage is one effective type of thermal energy storage technique, which allows significant TES capacities per weight of materials used.
In the NHS project, reversible chemical reactions (absorption and desorption) between metal halides and ammonia (NH3) are used.

The project is a Nordic collaboration between Technical University of Denmark (DTU) - Denmark, Institute for Energy Technology (IFE) - Norway; Amminex Emission Technology (AET) - Denmark and KTH- Sweden. DTU, IFE and AET are working on materials development and characterizing for this types of reaction systems. Their research therefore include developing novel metal halides, their thermos-physical property characterization as well as improving these characteristics by e.g. producing composites by combining with materials having better thermal conductivity. Based on the inputs from these materials’ research, the KTH partners are designing a bench-scale TCS system employing one chosen metal halide candidate, for the reversible absorption/desorption with NH3.

ISA Participants: Didier Blanchard (Project Participant), Anastasiia Karabanova (PhD Student)

Project web-site

LINX (2016-2021)

Project title: 
Link til Industriel brug af Neutroner og X-rays

Project description: 
En Industriportal for Dansk Industri til styrkelse af udvikling og brug af avancerede materialer og bioteknologi. LINX henvender sig til alle danske virksomheder med et behov for avanceret strukturkarakterisering af materialer, bioteknologiske og biofarmaceutiske komponenter eller teknologiske processer. Portalens fokus defineres allerede i den tidlige fase ud fra de behov, som er mest udtalte i industrien. Portalen har derfor allerede fra starten en række førende danske virksomheder med som Partnere. Partnerskaberne er etableret inden for indsatsområder, hvor de enkelte virksomheder og Portalen samarbejder om opbygning af de kompetencer og den forståelse, som Partnerne har behov for. De opbyggede kompetencer i Portalen vil herefter være til rådighed for alle danske virksomheder. Med Røntgen og neutronspredning er det muligt at studere strukturelle egenskaber og processer inden for materiale- og bioteknologi over længdeskalaer helt fra nanometer til centimeter. Herved opnås detaljeret indsigt, der kan anvendes i mange sektorer spændende fra energi og konstruktion over fødevarer til biotek og lifescience. De industrielle samarbejder i portalen skal samtidig bruges som løftestang til uddannelse af en række nye erhvervsrettede forskere på materialeområdet samt inspirere universiteterne til et generelt øget fokus på relevante industrielle forskningsområder .

ISA Participants: Søren Bredmose Simonsen (Project Participant)

Funding: Innovationsfonden - Grand Solutions