DACStorE Journal Publications

2025

Exploring Weather Impacts on Direct Air Capture Through Process and Techno-Economic Modeling

publication by A. S. Jajjawi, H. Wenzel, F. Harzendorf, J. M. Weinand, D. Stolten, R. Peters

This study looks at whether adjusting DAC operation to local weather can save energy. They find the process works best in cool, slightly humid air, while hot, dry air makes it less efficient. Dynamic operation cuts energy use modestly and shows that location and plant design strongly influence costs, with capital costs being the main driver. This article is within the framework of DACStorE Subproject II.
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A Novel Approach to Electrochemical Direct Air Capture Using Aqueous l-Arginine Amino Acid Solutions as an Absorption Solvent: Proof-of-Concept and Technoeconomics

publication by D. Heß, M. Rubin, R. Dittmeyer, Environmental Research Letters (2025)

This study explores capturing CO₂ from air using an l-arginine solution with a special regeneration method. 3D-printed structures boosted performance, making capture more efficient. The approach shows potential for costs below 350 € per ton, though energy, water, and equipment remain key hurdles.
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Weather conditions severely impact optimal direct air capture siting

publication by H. Wenzel, F. Harzendorf, K. Okosun, T. Schöb, J. M. Weinand, D. Stolten, Advances in Applied Energy (2025)

In this study, they take a deep dive into how weather variability fundamentally influences the performance and cost of Direct Air Capture (DAC) across different regions. Temporal resolution matters: they find variations in energy demand of more than 100% over the course of a year, emphasizing that accurately capturing fast-changing weather conditions is essential for reliable modeling of DAC energy use and productivity. This article is in the framework of DACStorE Subproject I.
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Developing a preliminary site selection method for direct air capture and CO₂ storage technology with a case study in North Germany

publication by Y. Xu, M. Singh, C. Schmidt-Hattenberger, M. Farkas, W. Weinzierl, T. Fernandez-Steeger, Int. Journal of Greenhouse Gas Control, (2025)

This study proposes a preliminary site screening and selection procedure tailored for Direct Air Capture (DAC) and CO₂ storage deployment. By adapting existing site selection frameworks, the approach incorporates DAC-specific criteria to better reflect the technological and infrastructural needs of DAC systems. The publication was developed within the framework of DACStorE Subproject I. This subproject focuses on identifying suitable sites for the capture of CO₂ from ambient air and its geological storage. The article presents a methodological approach for selecting potential DAC+S sites in Northern Germany.
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Optimizing the Synthesis of CO₂-Responsive Polymers: A Kinetic Model Approach for Scaling Up

publication by E. Pashayev, P. Georgopano, Polymers, (2025)

This article presents a validated kinetic model for the RAFT polymerization of DMAPAm to optimize and scale up the synthesis of a CO₂-responsive diblock copolymer, PDMAPAm-b-PMMA. The model accurately predicts polymerization kinetics and properties such as molar mass and livingness, guiding the development of a scalable protocol that achieves the desired 70:30 block ratio and molecular weight (~40 kDa). This article is within the framework of DACStorE Subproject II.
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CO₂-Responsive Copolymers for Membrane Applications, Synthesis, and Performance Evaluation

publication by E. Pashayev, P. Georgopano, Macromol. Mater. Eng., (2025)

This paper investigates the synthesis of PDMAPM-based diblock and random copolymers and their CO₂-triggered changes in hydrophilicity for use in membrane technologies. The study compares block and random architectures, demonstrating that random copolymers show faster and more pronounced wettability changes upon CO₂ exposure, making them more suitable for responsive membrane applications. These findings provide insight into designing smart polymer membranes for CO₂-regulated separations and filtration. This article is within the framework of DACStorE Subproject II.
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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. 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.
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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. 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.
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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. 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.
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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. 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.

Enhancing the Quality of MOF Thin Films for Device Integration Through Machine Learning: A Case Study on HKUST-1 SURMOF Optimization

publication by L. Pilz, M. Koenig, M. Schwotzer, H. Gliemann, C. Wöll, M. Tsotsalas, Advanced Functional Materials (2024)

This article is within the framework of DACStorE Subproject II.
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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. 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. 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.
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Investigating Dynamic Changes in 3D-Printed Covalent Adaptable Polymer Networks

publication by Y. Jia, C. A. Spiegel, J. Diehm, D. Zimmermann, B. Huber, H. Mutlu, M. Franzreb, M. Wilhelm, P. Théato, E. Blasco, M. Tsotsalas

This article is within the framework of DACStorE Subproject II.
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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.
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4D Printing of Adaptable “Living” Materials Based on Alkoxyamine Chemistry

publication by H. B. D. Tran, C. Vazquez-Martel, S. O. Catt, Y. Jia, M. Tsotsalas, C. A. Spiegel, E. Blasco, Advanced Finctional Materials (2024)

This article is within the framework of DACStorE Subproject II.
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Asymmetric Copper-Sulphur Sites Promote C-C Coupling for Selective CO₂ Electroreduction to C₂ Products

publication by L. Liang, L. Yang, T. Heine, A. Arinchtein, X. Wang, J. Hübner, J. Schmidt, A. Thomas, P. Strasser

This article is within the framework of DACStorE Subproject II.
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2023

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.
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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 by transforming vast amounts of unstructured publication data into machine-readable formats and integrating them into data-driven design and optimization processes. 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.
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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. 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.
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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.
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Utilizing machine learning to optimize metal–organic framework-derived polymer membranes for gas separation

publication by L. Pilz, C. Natzeck, J. Wohlgemuth, N. Scheuermann, S. Spiegel, S. Oßwald, A. Knebel, S. Bräse, C. Wöll, M. Tsotsalas, N. Prasetya

This article is within the framework of DACStorE Subproject II.
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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 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.
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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.
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2022

Fully Automated Optimization of Robot-Based MOF Thin Film Growth via Machine Learning Approaches

publication by L. Pilz, C. Natzeck, J. Wohlgemuth, N. Scheuermann, P. G. Weidler, I. Wagner, C. Wöll, M. Tsotsalas, Advanced Materials Interfaces (2023)

This article is within the framework of DACStorE Subproject II.
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Scoping carbon dioxide removal options for Germany–What is their potential contribution to Net-Zero CO₂?

publication by M. Borchers, D. Thrän, Y. Chi, N. Dahmen, R. Dittmeyer, T. Dolch, C. Dold, J. Förster, M. Herbst, D. Heß, A. Kalhori, K. Koop-Jakobsen, Z. Li, N. Mengis, T. B. H. Reusch, I. Rhoden, T. Sachs, C. Schmidt-Hattenberger, A. Stevenson, T. Thoni, J. Wu, C. Yeates, Frontiers in Climate (2022)

This article is within the framework of DACStorE Subproject I.
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Last Modified: 19.08.2025