| 1. |
- Amici, Julia, et al.
(author)
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A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030
- 2022
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In: Advanced Energy Materials. - : John Wiley & Sons. - 1614-6832 .- 1614-6840. ; 12:17
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Research review (peer-reviewed)abstract
- This roadmap presents the transformational research ideas proposed by "BATTERY 2030+," the European large-scale research initiative for future battery chemistries. A "chemistry-neutral" roadmap to advance battery research, particularly at low technology readiness levels, is outlined, with a time horizon of more than ten years. The roadmap is centered around six themes: 1) accelerated materials discovery platform, 2) battery interface genome, with the integration of smart functionalities such as 3) sensing and 4) self-healing processes. Beyond chemistry related aspects also include crosscutting research regarding 5) manufacturability and 6) recyclability. This roadmap should be seen as an enabling complement to the global battery roadmaps which focus on expected ultrahigh battery performance, especially for the future of transport. Batteries are used in many applications and are considered to be one technology necessary to reach the climate goals. Currently the market is dominated by lithium-ion batteries, which perform well, but despite new generations coming in the near future, they will soon approach their performance limits. Without major breakthroughs, battery performance and production requirements will not be sufficient to enable the building of a climate-neutral society. Through this "chemistry neutral" approach a generic toolbox transforming the way batteries are developed, designed and manufactured, will be created.
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| 2. |
- Atkins, Duncan, et al.
(author)
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Understanding Battery Interfaces by Combined Characterization and Simulation Approaches : Challenges and Perspectives
- 2022
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In: Advanced Energy Materials. - : John Wiley & Sons. - 1614-6832 .- 1614-6840. ; 12:17
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Research review (peer-reviewed)abstract
- Driven by the continuous search for improving performances, understanding the phenomena at the electrode/electrolyte interfaces has become an overriding factor for the success of sustainable and efficient battery technologies for mobile and stationary applications. Toward this goal, rapid advances have been made regarding simulations/modeling techniques and characterization approaches, including high-throughput electrochemical measurements coupled with spectroscopies. Focusing on Li-ion batteries, current developments are analyzed in the field as well as future challenges in order to gain a full description of interfacial processes across multiple length/timescales; from charge transfer to migration/diffusion properties and interphases formation, up to and including their stability over the entire battery lifetime. For such complex and interrelated phenomena, developing a unified workflow intimately combining the ensemble of these techniques will be critical to unlocking their full investigative potential. For this paradigm shift in battery design to become reality, it necessitates the implementation of research standards and protocols, underlining the importance of a concerted approach across the community. With this in mind, major collaborative initiatives gathering complementary strengths and skills will be fundamental if societal and environmental imperatives in this domain are to be met.
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| 3. |
- Carvalho, Rodrigo P.
(author)
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Organic Electrode Battery Materials : A Journey from Quantum Mechanics to Artificial Intelligence
- 2022
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Doctoral thesis (other academic/artistic)abstract
- Batteries have become an irreplaceable technology in human life as society becomes progressively more dependent on electricity. The demand for novel battery technologies has increased fast, especially with the popularisation of different portable devices. However, the current battery industry relies heavily on non-renewable resources that are also prone to provoke environmental harm. Among the possible candidates for the next generation of batteries, organic electroactive materials (OEMs) have become attractive due to a series of advantages: vastly accessible from renewable raw materials; highly versatile due to the possible functionalisation mechanisms; possibly lower production costs; reduced environmental impacts; etc. Nevertheless, some drawbacks need to be overcome before OEMs become competitive. Issues with energy density, rate capability and cycling stability hinder their final technological application. This thesis thereby discusses fundamental aspects of OEMs and proposes novel techniques to accelerate the materials discovery process.The first part of this thesis presents a pathway to systematically investigate organic materials by combining quantum mechanics calculations and crystal structure predictions. An evolutionary algorithm predicts the crystal structure of several OEMs, enabling an initial assessment of the electronic structure and the thermodynamics of the ionic insertion mechanism in these compounds. Furthermore, this first part also suggests an approach to tailor OEMs, identifying their charge storage limits and the possible occurrence of metastable phases during the ion insertion process. However, the presented strategy, while accurate, is seriously limited by its high computational demands, which are unrealistic for high-throughput screening of novel materials.Since organic materials represent a possibly limitless universe of compounds, alternative techniques are needed. Thus, the second part of this thesis combines quantum mechanics and artificial intelligence (AI), rendering a powerful platform to aid this task. An “AI-\textit{kernel}” was employed to analyse millions of organic compounds, discovering novel possible organic battery materials. Moreover, the AI accurately identified common functional groups associated with higher-voltage electrodes and suggested features that may aid future materials design. Furthermore, the kernel can also identify materials suitable for Na- and K-ion batteries and anticipate their redox stability.In conclusion, this thesis has focused on investigating fundamental properties of organic electroactive materials, particularly the ionic insertion process in batteries. Furthermore, AI-driven methodologies have also been proposed, accurately evaluating OEMs and enabling fast access to the gigantic organic realm when searching for novel battery electrode materials.
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| 4. |
- Castelli, Ivano E., et al.
(author)
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Data Management Plans : the Importance of Data Management in the BIG-MAP Project
- 2021
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In: Batteries & Supercaps. - : John Wiley & Sons. - 2566-6223. ; 4:12, s. 1803-1812
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Journal article (peer-reviewed)abstract
- Open access to research data is increasingly important for accelerating research. Grant authorities therefore request detailed plans for how data is managed in the projects they finance. We have recently developed such a plan for the EU H2020 BIG-MAP project-a cross-disciplinary project targeting disruptive battery-material discoveries. Essential for reaching the goal is extensive sharing of research data across scales, disciplines and stakeholders, not limited to BIG-MAP and the European BATTERY 2030+ initiative but within the entire battery community. The key challenges faced in developing the data management plan for such a large and complex project were to generate an overview of the enormous amount of data that will be produced, to build an understanding of the data flow within the project and to agree on a roadmap for making all data FAIR (findable, accessible, interoperable, reusable). This paper describes the process we followed and how we structured the plan.
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| 5. |
- Dimov, Stefan S., et al.
(author)
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4M Network of Excellence : Progress Report 2004-2006
- 2007
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In: 4M 2007. - Dunbeath : Whittles Publishing. - 9781904445531 - 9781420070040 ; , s. xvii-xxxi
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Conference paper (peer-reviewed)abstract
- The 4M Network of Excellence started on 1st October 2004. It is a consortium of 30 academic and research organisations that came together to form the network under the European Commission's 6th Framework Research Programme. The Network has developed a knowledge community in Micro- and Nano- Technology (MNT) for the batch-manufacture of microcomponents and devices in a variety of materials for future microsystems products, particularly in non-silicon materials. This paper gives an overview of the structure, operation and activity of the network since its inception, illustrating the network's progress towards its goals.
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| 6. |
- Edström, Kristina, Professor, 1958-
(author)
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Battery 2030+ Roadmap
- 2020
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Reports (other academic/artistic)abstract
- Climate change is the biggest challenge facing the world today. Europe is committed to achieving a climate-neutral society by 2050, as stated in the European Green Deal.1 The transition towards a climate-neutral Europe requires fundamental changes in the way we generate and use energy. If batteries can be made simultaneously more sustainable, safe, ultrahigh performing, and affordable, they will be true enablers, “accelerating the shift towards sustainable and smart mobility; supplying clean, affordable and secure energy; and mobilizing industry for a clean and circular economy” - all of which are important elements of the UN Sustainable Development Goals.In other words, batteries are a key technology for battling carbon dioxide emissions from the transport, power, and industry sectors. However, to reach our sustainability goals, batteries must exhibit ultra-high performance beyond their capabilities today. Ultra-high performance includes energy and power performance approaching theoretical limits, outstanding lifetime and reliability, and enhanced safety and environmental sustainability. Furthermore, to be commercially successful, these batteries must support scalability that enables cost-effective large-scale production.BATTERY 2030+, is the large-scale, long-term European research initiative with the vision of inventing the sustainable batteries of the future, to enable Europe to reach the goals envisaged in the European Green Deal. BATTERY 2030+ is at the heart of a green and connected society.BATTERY 2030+ will contribute to create a vibrant battery research and development (R&D) community in Europe, focusing on long-term research that will continuously feed new knowledge and technologies throughout the value chain, resulting in new products and innovations. In addition, the initiative will attract talent from across Europe and contribute to ensure access to competences needed for ongoing societal transformation.The BATTERY 2030+ aims are:• to invent ultra-high performance batteries that are safe, affordable, and sustainable, witha long lifetime.• to provide new tools and breakthrough technologies to the European battery industrythroughout the value chain.• to enable long-term European leadership in both existing markets (e.g., transport andstationary storage) and future emerging sectors (e.g., robotics, aerospace, medical devices, and Internet of things)With this roadmap, BATTERY 2030+ advocates research directions based on a chemistry-neutral approach that will allow Europe to reach or even surpass its ambitious battery performance targets set in the European Strategic Energy Technology Plan (SET-Plan)3 and foster innovation throughout the battery value chain.
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| 7. |
- Kleineidam, Luca, et al.
(author)
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Midlife occupational cognitive requirements protect cognitive function in old age by increasing cognitive reserve
- 2022
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In: Frontiers in Psychology. - : Frontiers Media SA. - 1664-1078. ; 13
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Journal article (peer-reviewed)abstract
- Introduction: Several lifestyle factors promote protection against Alzheimer's disease (AD) throughout a person's lifespan. Although such protective effects have been described for occupational cognitive requirements (OCR) in midlife, it is currently unknown whether they are conveyed by brain maintenance (BM), brain reserve (BR), or cognitive reserve (CR) or a combination of them. Methods: We systematically derived hypotheses for these resilience concepts and tested them in the population-based AgeCoDe cohort and memory clinic-based AD high-risk DELCODE study. The OCR score (OCRS) was measured using job activities based on the O*NET occupational classification system. Four sets of analyses were conducted: (1) the interaction of OCR and APOE-ε4 with regard to cognitive decline (N = 2,369, AgeCoDe), (2) association with differentially shaped retrospective trajectories before the onset of dementia of the Alzheimer's type (DAT; N = 474, AgeCoDe), (3) cross-sectional interaction of the OCR and cerebrospinal fluid (CSF) AD biomarkers and brain structural measures regarding memory function (N = 873, DELCODE), and (4) cross-sectional and longitudinal association of OCR with CSF AD biomarkers and brain structural measures (N = 873, DELCODE). Results: Regarding (1), higher OCRS was associated with a reduced association of APOE-ε4 with cognitive decline (mean follow-up = 6.03 years), consistent with CR and BR. Regarding (2), high OCRS was associated with a later onset but subsequently stronger cognitive decline in individuals converting to DAT, consistent with CR. Regarding (3), higher OCRS was associated with a weaker association of the CSF Aβ42/40 ratio and hippocampal volume with memory function, consistent with CR. Regarding (4), OCR was not associated with the levels or changes in CSF AD biomarkers (mean follow-up = 2.61 years). We found a cross-sectional, age-independent association of OCRS with some MRI markers, but no association with 1-year-change. OCR was not associated with the intracranial volume. These results are not completely consistent with those of BR or BM. Discussion: Our results support the link between OCR and CR. Promoting and seeking complex and stimulating work conditions in midlife could therefore contribute to increased resistance to pathologies in old age and might complement prevention measures aimed at reducing pathology.
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