2025

Comparative analysis of industrialization potentials of direct air capture technologies
publication by R. Koch, D. Dittmeyer, Front. Clim., (2025)

• This paper compares four direct air carbon capture technologies—alkaline gas washing, temperature-vacuum swing adsorption, electro-swing adsorption, and accelerated weathering carbon capture—regarding their potential for industrial-scale deployment by evaluating multiple criteria including energy demand, costs, water and land use, materials, waste generation, and technology readiness levels. Using a multi-criteria decision-making model (PROMETHEE II), the study finds that electro-swing adsorption shows the highest industrialization potential but is associated with major uncertainties concerning scalability, material supply, and performance under ambient conditions, whereas technologies like TVSA and AWCC are more mature but come with higher energy or land requirements. The authors emphasize that no single technology fully satisfies all criteria and suggest that a mix of approaches tailored to context and location will likely be necessary for large-scale DACC implementation. This paper is part of DACStorE Sub-Project II and describes how techno-economic evaluation methods help assess the scalability and operational viability of direct air capture systems.

2024

Data-Driven Innovation in Metal-Organic Frameworks Photocatalysis: Bridging Gaps for CO₂ Capture and Conversion with FAIR Principles
publication by C. Bizzarri, M. Tsotsalas, Advanced Energy and Sustainability Research (2024)

• This paper explores how metal-organic frameworks (MOFs) can be specifically engineered for CO₂ capture and photocatalytic conversion and argues that progress in this field critically depends on the adoption of standardized measurement protocols and a FAIR-compliant, open-access data infrastructure, with a particular emphasis on building a global MOF database supported by AI-driven natural language processing tools for automated data extraction. The authors demonstrate that MOFs are especially well-suited for solar-powered CO₂ reduction due to their structural tunability, but that inconsistent reporting and a lack of integrated data significantly hinder material comparison and optimization. By combining experimental research, machine learning, and automated literature analysis, the paper outlines a new framework for systematically advancing high-performance MOFs for CO₂ conversion. This paper is part of DACStorE Sub-Project II and shows how data-driven material design, FAIR principles, and AI-supported evaluation methods enable faster identification and optimization of MOFs for direct air capture.

Criteria for effective site selection of direct air capture and storage projects
publication by F. Harzendorf, T. Markus, A. Ross, R. Valencia Cotera, C. Baust, S. Vögele, D. Taraborrelli, P. Zapp, V. A. Karydis, P. Bowyer, and D. Stolten, Environmental Research Letters (2024)

• This paper develops a comprehensive set of criteria for evaluating suitable sites for direct air carbon capture and storage (DACCS) projects, integrating not only technical aspects such as CO₂ storage and energy infrastructure but also legal, social, environmental, and economic dimensions to enable informed and balanced site selection decisions. Through hypothetical case studies, the authors demonstrate how various stakeholder groups—including governments and investors—prioritize different criteria based on their goals, potentially leading to conflicting expectations that require coordinated regulatory, planning, and engagement strategies. The paper proposes political and legal measures to incorporate these multi-factor criteria into spatial planning, permitting processes, and carbon market instruments in order to facilitate the large-scale, conflict-sensitive deployment of DACCS. This paper is part of DACStorE Sub-Project I, Sub-Project II, and Sub-Project III and shows how interdisciplinary site assessments and proactive regulation can establish suitable conditions for planning and scaling up direct air capture technologies.

Die Carbon Management Strategie und CCS im Lichte klimaundenergierechtlicher Weichenstellungen
publication by T. Markus, D. Otto, and D. Thrän, DAS THEMA (2024)

• This paper analyzes the German government's Carbon Management Strategy and the current legislative proposal to amend the Carbon Dioxide Storage Act in light of climate policy goals and energy sector developments, emphasizing the emerging role of carbon capture and storage (CCS) as a regular component of national climate action, particularly for managing hard-to-abate industrial emissions and as a foundational infrastructure for CO₂ removal methods like direct air capture. The authors argue that this political shift toward CCS offers opportunities to reach climate targets but also risks a fossil fuel lock-in, and they stress the need for clear legal frameworks, targeted support mechanisms, and strategic coordination with other policy areas, including those focused on negative emissions. The paper highlights the importance of robust regulation for CO₂ transport networks and offshore storage, as well as public engagement and transparent communication. This paper is part of DACStorE Sub-Project III and shows how direct air carbon capture can be sustainably implemented through integrated legal, political, and societal frameworks.

Reanimation: Carbon Capture and Storage
publication by T. Markus, ZUR (2024)

• This paper examines the political and legal shift in Germany’s approach to carbon capture and storage (CCS), reflected in a new policy paper and draft legislation on CO₂ storage, and places these developments in the broader context of national and EU climate strategies, particularly highlighting the role of CCS in addressing hard-to-abate emissions and its potential integration into negative emissions technologies like direct air capture. It argues that CCS is increasingly seen as a mainstream climate policy tool, though subject to specific environmental and energy policy constraints that create both opportunities for industrial use and challenges for nature conservation. The authors emphasize the need for a nuanced regulatory framework that enables technological deployment while avoiding risks such as fossil lock-ins. This paper is part of DACStorE Sub-Project III and contributes by explaining how direct air capture can be politically legitimized and socially embedded through a robust legal framework.

Sauerstoffempfindlichkeit der RAFT-Polymerisation – Eine Modellierungsstudie
publication by E. Pashayev, F. Kandelhard, P. Georgopanos, Chemie Ingenieur Technik, Volume 96, Issue 6: Special Issue: Chemische Reaktionstechnik (2024)

• This paper uses a kinetic modeling approach to investigate the oxygen sensitivity of RAFT polymerization and reveals that the rate-determining steps of inhibition are not the formation of peroxide radicals but their subsequent reactions—especially termination with other polymer chains—while a detailed sensitivity analysis quantifies the impact of kinetic parameters and oxygen concentration on conversion and molecular weight development, ultimately leading to an optimized initiation strategy that combines fast and slow radical generators to accelerate oxygen depletion and ensure a uniform polymerization process. The developed model enables virtual process optimization, reduces experimental effort, and provides a robust basis for improving controlled polymerizations under real-world conditions. This paper is part of DACStorE Sub-Project II and contributes to the central research question of how modeling and control of radical polymerizations can support the reliable and reproducible production of functional polymers for CO₂ adsorptive materials.

CO₂-Responsive Copolymers for Membrane Applications, Synthesis, and Performance Evaluation
publication by E. Pashayev, P. Georgopanos, Macromolecular Materials and Engineering (2024)

• This paper presents the development of a novel CO₂-responsive diblock copolymer (PDMAPAm-b-PMMA), synthesized via a two-step RAFT polymerization process and successfully applied as a membrane coating, where the PDMAPAm block provides CO₂ reactivity and the PMMA block contributes mechanical stability, resulting in a thin, stable, and selective membrane with enhanced permeability and selectivity for CO₂ and H₂O over N₂ and O₂. The authors show that membrane selectivity can be tuned by adjusting the polymer composition, offering a promising strategy for high-performance membranes in direct air capture applications. The study further demonstrates that these copolymers are thermally stable, processable, and reproducibly synthesizable, making them well-suited for scalable implementation. This paper is part of DACStorE Sub-Project II and contributes to the core research question of how functional polymer materials can be designed for efficient CO₂ separation from air and integrated into scalable membrane systems.

2023

Electroreduction of CO2 on Au(310)@Cu High-index Facets.
publication by L. Liang, Q. Feng, X. Wang, J. Hübner, U. Gernert, M. Heggen, L. Wu, T. Hellmann, J. P. Hofmann, and P. Strasser, Angew. Chem Int.: 2023 (62)

• This paper reports the targeted synthesis of nanostructured Au@Cu core–shell particles with well-defined high-index copper facets that exhibit significantly enhanced selectivity and efficiency for CO₂ electroreduction to methane, achieving an almost tenfold CH₄:CO product ratio compared to non-facet-controlled reference catalysts, with operando FTIR and CO stripping experiments on these specialized surfaces. This paper is part of DACStorE Sub-Project II and contributes to the central research question of how nanostructured, facet-engineered catalysts can be technically realized for selective and energy-efficient CO₂ conversion from ambient air.

Functional Material Systems Enabled by Automated Data Extraction and Machine Learning
publication by P. Kalhor, N. Jung, S. Bräse, C. Wöll, P. Friederich, M. Tsotsalas, Adv. Funct. Mat. (2023)

• This paper demonstrates how automated data extraction from scientific literature combined with machine learning can significantly accelerate the development of functional material systems—especially those based on metal-organic frameworks (MOFs)—by transforming vast amounts of unstructured publication data into machine-readable formats and integrating them into data-driven design and optimization processes. It explains how these methods can predict material properties, synthesis conditions, and stability criteria, enabling the efficient and targeted development of new materials for specific applications. The role of large language models (LLMs) such as GPT in structuring data and enhancing ML-driven material design workflows is particularly emphasized. The main takeaway is that data-centric approaches, together with intelligent data infrastructures and FAIR data practices, are essential for faster and more sustainable material innovation. This paper is part of DACStorE Sub-Project II and directly supports the core DACStorE mission of using computational methods and machine learning to design efficient materials for Direct Air Carbon Capture.

Direct Air Capture Use & Storage – rechtliche und klimapolitische Hintergründe
publication by T. Markus, D. Heß, D. Otto, R. Dittmeyer, ZUR (2023, Heft 3)

• This paper examines the legal and climate policy framework for Direct Air Carbon Capture (DACC), highlighting that CO₂ removal is increasingly recognized as essential to achieving international climate goals. It explores technical approaches, policy targets, and especially the need for a distinct regulatory framework, since DACC measures do not fit neatly into traditional mitigation strategies. The authors call for clear legal definitions, certification standards, and integration into carbon markets and funding mechanisms. The key message is that DACC must be established and safeguarded as an independent climate policy instrument to unlock its full potential. This paper is part of DACStorE Sub-Project III and directly contributes to the overarching goal of embedding DACC technologies within legal, political, and economic systems to ensure their long-term viability and impact.

Biofunctionalization of Metal-Organic Framework Nanoparticles via Combined Nitroxide Mediated Polymerization and Nitroxide Exchange Reaction
publication by I. Wagner, S. Spiegel, J. Brückel, M. Schwotzer, A. Welle, M. H. Stenzel, S. Bräse, S. Begum, and M. Tsotsalas, Macro. Materials (2023)

• This paper presents a novel method for surface functionalization of metal–organic framework nanoparticles (MOF-NPs), enhancing their colloidal stability and enabling precise biofunctionalization. By combining nitroxide-mediated polymerization (NMP) and nitroxide exchange reaction (NER), PEG chains and RGD peptides were successfully grafted onto UiO-66-NH₂ MOFs. This led to improved dispersibility, reduced non-specific protein adsorption (HSA), and the potential for targeted biointeractions. The study highlights the promise of such MOF-based systems in biomedical applications. The paper is part of DACStorE Sub-Project III and contributes to the overall goal of tailoring MOF surfaces for efficient and selective CO₂ capture.

Design of NiNC single atom catalyst layers and AEM electrolyzers for stable and efficient CO2-to-CO electrolysis: Correlating ionomer and cell performance.
publication by J. Wang, T. R. Willson, S. Brückner, D. K. Whelligan, C. Sun, L. Liang, X. Wang, P. Strasser, J. Varcoe, and W. Ju., Electrochimical Acta: 2023 (461:142613)

• This paper investigates how different ionomers influence the performance of electrocatalysts for CO₂-to-CO electrolysis. The researchers develop and test catalyst layers based on nickel–nitrogen–carbon (NiNC) single-atom catalysts in anion exchange membrane (AEM) electrolyzers, focusing on mass transport, stability, and selectivity at high current densities. The ionomer Sustainion proves particularly effective, enabling high CO yields (over 90% Faradaic efficiency) and stable performance for more than 15 hours. The study demonstrates that a balanced combination of ion conductivity and hydrophobicity is crucial for achieving both high efficiency and long-term stability. The paper is part of DACStorE Sub-Project II and contributes to the central research question of how Direct Air Carbon Capture can be technically realized through robust, scalable, and cost-effective catalyst systems.

Entnahme von CO2 als Baustein der deutschen Klimapolitik – 11 kurze Überlegungen zu Abgrenzung, Portfolio und Klimarecht
publication by T. Markus, D. Otto, K. Korte, E. Gawel, H. Schinder, and D. Thrän, UFZ Discussion Papers (2023)

• This paper explores the role of carbon dioxide removal (CDR) as a complementary tool to emission avoidance in Germany’s climate policy. In eleven concise points, it addresses the technical, legal, and policy dimensions of various CDR approaches—from afforestation to direct air capture and geological storage. It emphasizes the need for a balanced portfolio of biological and technological solutions and robust legal frameworks. The main takeaway: CDR is not a substitute for mitigation, but a necessary supplement to achieve climate targets. The paper is part of DACStorE Sub-Project III.