All Outputs (77)

A storyline approach: integrating comprehensive, interdisciplinary research results to create narratives – in the context of the net-zero target in Germany (2024)
Journal Article
Köhnke, F., Steuri, B., Baetcke, L., Borchers, M., Brinkmann, T., Dittmeyer, R., Dornheim, M., El Zohbi, J., Förster, J., Gawel, E., Görl, K., Herbst, M., Heß, D., Kalhori, A., Korte, K., Li, Z., Markus, T., Mengis, N., Monnerie, N., Oschlies, A., …Jacob, D. (2024). A storyline approach: integrating comprehensive, interdisciplinary research results to create narratives – in the context of the net-zero target in Germany. Frontiers in Environmental Science, 12, Article 1433491. https://doi.org/10.3389/fenvs.2024.1433491

With the amendment to the German Climate Change Act in 2021, the Federal Government of Germany has set the target to become greenhouse gas neutral by 2045. Reaching this ambitious target requires multisectoral efforts, which in turn calls for interdi... Read More about A storyline approach: integrating comprehensive, interdisciplinary research results to create narratives – in the context of the net-zero target in Germany.

Understanding the reaction pathway of lithium borohydride-hydroxide-based multi-component systems for enhanced hydrogen storage (2024)
Journal Article
Munshi, S., Walker, G. S., Manickam, K., Hansen, T., Dornheim, M., & Grant, D. M. (2024). Understanding the reaction pathway of lithium borohydride-hydroxide-based multi-component systems for enhanced hydrogen storage. Journal of Materials Chemistry A, 12(41), 28326-28336. https://doi.org/10.1039/d4ta05368k

Complex hydride-metal hydroxide multicomponent hydrogen storage systems have high potential for hydrogen storage because their dehydrogenation thermodynamics can be tuned while maintaining a high hydrogen storage capacity. Out of all the ratios explo... Read More about Understanding the reaction pathway of lithium borohydride-hydroxide-based multi-component systems for enhanced hydrogen storage.

A density functional theory study of defective and doped structures of MgB2 and their interaction with hydrogen (2024)
Journal Article
Kuganathan, N., Dornheim, M., M. Grant, D., & Ling, S. (2024). A density functional theory study of defective and doped structures of MgB2 and their interaction with hydrogen. Materials Chemistry and Physics, 324, Article 129677. https://doi.org/10.1016/j.matchemphys.2024.129677

The LiBH4+MgH2 system exhibits promising potential for solid-state hydrogen storage, yet the sluggish rehydrogenation of MgB2 poses a significant challenge. In this study, we utilize density functional theory (DFT) simulations to investigate the ener... Read More about A density functional theory study of defective and doped structures of MgB2 and their interaction with hydrogen.

Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: from predictions to experimental validation (2024)
Journal Article
Agafonov, A., Pineda-Romero, N., Witman, M., Nassif, V., Vaughan, G. B., Lei, L., Ling, S., Grant, D. M., Dornheim, M., Allendorf, M., Stavila, V., & Zlotea, C. (2024). Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: from predictions to experimental validation. Acta Materialia, 276, Article 120086. https://doi.org/10.1016/j.actamat.2024.120086

The vast chemical space of high entropy alloys (HEAs) makes trial-and-error experimental approaches for materials discovery intractable and often necessitates data-driven and/or first principles computational insights to successfully target materials... Read More about Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: from predictions to experimental validation.

Stability and Failure Mechanisms of Al2O3|Al Bilayer Coatings Exposed to 300 Bar Hydrogen at 673 K (2023)
Journal Article
Hieke, S. W., Frank, A., Duarte, M. J., Gopalan, H., Patil, P., Wetegrove, M., Rohloff, M., Kruth, A., Pistidda, C., Dornheim, M., Taube, K., Dehm, G., & Scheu, C. (2024). Stability and Failure Mechanisms of Al2O3|Al Bilayer Coatings Exposed to 300 Bar Hydrogen at 673 K. Advanced Engineering Materials, 26(4), Article 2300619. https://doi.org/10.1002/adem.202300619

Hydrogen barrier coatings are important for future hydrogen economy to enable materials for applications in hydrogen tanks. In the present study, coatings consisting of amorphous Al2O3 (≈100 nm) synthesized by plasma ion-assisted deposition on top of... Read More about Stability and Failure Mechanisms of Al2O3|Al Bilayer Coatings Exposed to 300 Bar Hydrogen at 673 K.

Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications (2023)
Journal Article
Santhosh, A., Kang, S. Y., Keilbart, N., Wood, B. C., Klassen, T., Jerabek, P., & Dornheim, M. (2023). Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications. Journal of Materials Chemistry A, 11(35), 18776-18789. https://doi.org/10.1039/D3TA02205F

The inevitable formation of passivating oxide films on the surface of the TiFe intermetallic compound limits its performance as a stationary hydrogen storage material. Extensive experimental efforts have been dedicated to the activation of TiFe, i.e.... Read More about Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications.

Developing sustainable FeTi alloys for hydrogen storage by recycling (2022)
Journal Article
Shang, Y., Liu, S., Liang, Z., Pyczak, F., Lei, Z., Heidenreich, T., Schökel, A., Kai, J.-J., Gizer, G., Dornheim, M., Klassen, T., & Pistidda, C. (2022). Developing sustainable FeTi alloys for hydrogen storage by recycling. Communications Materials, 3, Article 101. https://doi.org/10.1038/s43246-022-00324-5

Intermetallic alloys such as FeTi have attracted ever-growing attention as a safe and efficient hydrogen storage medium. However, the utilization of high-purity metals for the synthesis of such materials poses considerable concerns over the environme... Read More about Developing sustainable FeTi alloys for hydrogen storage by recycling.

Effects of metal-based additives on dehydrogenation process of 2NaBH4 + MgH2 system (2022)
Journal Article
Shang, Y., Jin, O., Puszkiel, J. A., Karimi, F., Dansirima, P., Sittiwet, C., Utke, R., Soontaranon, S., Le, T. T., Gizer, G., Szabó, D. V., Wagner, S., Kübel, C., Klassen, T., Dornheim, M., Pundt, A., & Pistidda, C. (2022). Effects of metal-based additives on dehydrogenation process of 2NaBH4 + MgH2 system. International Journal of Hydrogen Energy, 47(89), 37882-37894. https://doi.org/10.1016/J.IJHYDENE.2022.08.293

We report a systematic investigation of the effect that selected metal-based additives have on the dehydrogenation properties of the reactive hydride composite (RHC) model system 2NaBH4+MgH2. Compared to the pristine system, the material doped with 3... Read More about Effects of metal-based additives on dehydrogenation process of 2NaBH4 + MgH2 system.

Research and development of hydrogen carrier based solutions for hydrogen compression and storage (2022)
Journal Article
Dornheim, M., Baetcke, L., Akiba, E., Ares, J. R., Autrey, T., Barale, J., Baricco, M., Brooks, K., Chalkiadakis, N., Charbonnier, V., Christensen, S., Bellosta Von Colbe, J., Costamagna, M., Dematteis, E., Fernandez, J. F., Genett, T., Grant, D., Heo, T. W., Hirscher, M., Hurst, K., …Zoulias, E. (2022). Research and development of hydrogen carrier based solutions for hydrogen compression and storage. Progress in Energy, 4(4), Article 042005. https://doi.org/10.1088/2516-1083/ac7cb7

Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen is the ideal means for medium to long term energy storage, transport and usage in combination with renewable and green energy supply. In a future energy... Read More about Research and development of hydrogen carrier based solutions for hydrogen compression and storage.

Hydrogen storage in complex hydrides: past activities and new trends (2022)
Journal Article
Dematteis, E. M., Amdisen, M. B., Autrey, T., Barale, J., Bowden, M. E., Buckley, C. E., Cho, Y. W., Deledda, S., Dornheim, M., de Jongh, P., Grinderslev, J. B., Gizer, G., Gulino, V., Hauback, B. C., Heere, M., Heo, T. W., Humphries, T. D., Jensen, T. R., Kang, S. Y., Lee, Y.-S., …Baricco, M. (2022). Hydrogen storage in complex hydrides: past activities and new trends. Progress in Energy, 4(3), Article 032009. https://doi.org/10.1088/2516-1083/ac7499

Intense literature and research efforts have focussed on the exploration of complex hydrides for energy storage applications over the past decades. A focus was dedicated to the determination of their thermodynamic and hydrogen storage properties, due... Read More about Hydrogen storage in complex hydrides: past activities and new trends.

Magnesium- and intermetallic alloys-based hydrides for energy storage: Modelling, synthesis and properties (2022)
Journal Article
Pasquini, L., Sakaki, K., Akiba, E., Allendorf, M. D., Alvares, E., Ares, J. R., Babai, D., Baricco, M., Bellosta Von Colbe, J., Bereznitsky, M., Buckley, C. E., Cho, Y. W., Cuevas, F., De Rango, P., Dematteis, E. M., Denys, R. V., Dornheim, M., Fernández, J. F., Hariyadi, A., Hauback, B. C., …Yartys, V. A. (2022). Magnesium- and intermetallic alloys-based hydrides for energy storage: Modelling, synthesis and properties. Progress in Energy, 4(3), Article 032007. https://doi.org/10.1088/2516-1083/ac7190

Hydrides based on magnesium and intermetallic compounds provide a viable solution to the challenge of energy storage from renewable sources, thanks to their ability to absorb and desorb hydrogen in a reversible way with a proper tuning of pressure an... Read More about Magnesium- and intermetallic alloys-based hydrides for energy storage: Modelling, synthesis and properties.

SNG based energy storage systems with subsurface CO2 storage (2022)
Journal Article
Fogel, S., Yeates, C., Unger, S., Rodriguez-Garci, G., Baetcke, L., Dornheim, M., Schmidt-Hattenberge, C., Bruhn, D., & Hampel, U. (2022). SNG based energy storage systems with subsurface CO2 storage. Energy Advances, 1(7), 402-421. https://doi.org/10.1039/D1YA00035G

Large-scale energy storage plants based on power-to-gas-to-power (PtG-GtP) technologies incorporating high temperature electrolysis, catalytic methanation for the provision of synthetic natural gas (SNG) and novel, highly efficient SNG-fired Allam re... Read More about SNG based energy storage systems with subsurface CO2 storage.

Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study (2022)
Journal Article
Alvares, E., Jerabek, P., Shang, Y., Santhosh, A., Pistidda, C., Heo, T. W., Sundman, B., & Dornheim, M. (2022). Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study. Calphad, 77, Article 102426. https://doi.org/10.1016/J.CALPHAD.2022.102426

FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the OpenCalpha... Read More about Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study.

Sustainable NaAlH4 production from recycled automotive Al alloy (2022)
Journal Article
Shang, Y., Pistidda, C., Milanese, C., Girella, A., Schökel, A., Le, T. T., Hagenah, A., Metz, O., Klassen, T., & Dornheim, M. (2022). Sustainable NaAlH4 production from recycled automotive Al alloy. Green Chemistry, 24(10), 4153-4163. https://doi.org/10.1039/D1GC04709D

To reduce the carbon footprint associated with the production of hydrogen storage materials and to reduce their cost, we pursue the possibility of obtaining high-quality hydride-based materials from industrial metals waste. In particular, in this man... Read More about Sustainable NaAlH4 production from recycled automotive Al alloy.

Effect of the particle size evolution on the hydrogen storage performance of KH doped Mg(NH2)2 + 2LiH (2022)
Journal Article
Gizer, G., Karimi, F., Pistidda, C., Cao, H., Puszkiel, J. A., Shang, Y., Gericke, E., Hoell, A., Pranzas, P. K., Klassen, T., & Dornheim, M. (2022). Effect of the particle size evolution on the hydrogen storage performance of KH doped Mg(NH2)2 + 2LiH. Journal of Materials Science, 57(22), 10028-10038. https://doi.org/10.1007/s10853-022-06985-4

In recent years, many solid-state hydride-based materials have been considered as hydrogen storage systems for mobile and stationary applications. Due to a gravimetric hydrogen capacity of 5.6wt% and a dehydrogenation enthalpy of 38.9kJ/molH2, Mg(NH2... Read More about Effect of the particle size evolution on the hydrogen storage performance of KH doped Mg(NH2)2 + 2LiH.

Development and experimental validation of kinetic models for the hydrogenation/dehydrogenation of Mg/Al based metal waste for energy storage (2022)
Journal Article
Passing, M., Pistidda, C., Capurso, G., Jepsen, J., Metz, O., Dornheim, M., & Klassen, T. (2022). Development and experimental validation of kinetic models for the hydrogenation/dehydrogenation of Mg/Al based metal waste for energy storage. Journal of Magnesium and Alloys, 10(10), 2761-2774. https://doi.org/10.1016/j.jma.2021.12.005

With the increased use of renewable energy sources, the need to store large amounts of energy will become increasingly important in the near future. A cost efficient possibility is to use the reaction of recycled Mg waste with hydrogen as thermo-chem... Read More about Development and experimental validation of kinetic models for the hydrogenation/dehydrogenation of Mg/Al based metal waste for energy storage.

Net‐Zero CO2 Germany—A Retrospect From the Year 2050 (2022)
Journal Article
Mengis, N., Kalhori, A., Simon, S., Harpprecht, C., Baetcke, L., Prats‐Salvado, E., Schmidt‐Hattenberger, C., Stevenson, A., Dold, C., El Zohbi, J., Borchers, M., Thrän, D., Korte, K., Gawel, E., Dolch, T., Heß, D., Yeates, C., Thoni, T., Markus, T., Schill, E., …Dittmeyer, R. (2022). Net‐Zero CO2 Germany—A Retrospect From the Year 2050. Earth's Future, 10(2), Article e2021EF002324. https://doi.org/10.1029/2021EF002324

Germany 2050: For the first time Germany reached a balance between its sources of anthropogenic CO2 to the atmosphere and newly created anthropogenic sinks. This backcasting study presents a fictional future in which this goal was achieved by avoidin... Read More about Net‐Zero CO2 Germany—A Retrospect From the Year 2050.

De-hydrogenation/Rehydrogenation Properties and Reaction Mechanism of AmZn(NH2)n-2nLiH Systems (A = Li, K, Na, and Rb) (2022)
Journal Article
Cao, H., Pistidda, C., Richter, T. M., Capurso, G., Milanese, C., Tseng, J. C., Shang, Y., Niewa, R., Chen, P., Klassen, T., & Dornheim, M. (2022). De-hydrogenation/Rehydrogenation Properties and Reaction Mechanism of AmZn(NH2)n-2nLiH Systems (A = Li, K, Na, and Rb). Sustainability, 14(3), Article 1672. https://doi.org/10.3390/su14031672

With the aim to find suitable hydrogen storage materials for stationary and mobile applica-tions, multi-cation amide-based systems have attracted considerable attention, due to their unique hydrogenation kinetics. In this work, Am Zn(NH2)n (with A =... Read More about De-hydrogenation/Rehydrogenation Properties and Reaction Mechanism of AmZn(NH2)n-2nLiH Systems (A = Li, K, Na, and Rb).

Enhanced Hydrogen Storage Properties of Li-RHC System with In-House Synthesized AlTi3 Nanoparticles (2021)
Journal Article
Le, T.-T., Pistidda, C., Puszkiel, J., Castro Riglos, M. V., Dreistadt Thomas Klassen, D. M., & Dornheim, M. (2021). Enhanced Hydrogen Storage Properties of Li-RHC System with In-House Synthesized AlTi3 Nanoparticles. Energies, 14(23), Article 7853. https://doi.org/10.3390/EN14237853

In recent years, the use of selected additives for improving the kinetic behavior of the system 2LiH + MgB2 (Li-RHC) has been investigated. As a result, it has been reported that some additives (e.g., 3TiCl3·AlCl3), by reacting with the Li-RHC compon... Read More about Enhanced Hydrogen Storage Properties of Li-RHC System with In-House Synthesized AlTi3 Nanoparticles.

Hydrogen storage properties and reaction mechanisms of K2Mn(NH2)4–8LiH system (2021)
Journal Article
Wang, J., Lei, G., Pistidda, C., He, T., Cao, H., Dornheim, M., & Chen, P. (2021). Hydrogen storage properties and reaction mechanisms of K2Mn(NH2)4–8LiH system. International Journal of Hydrogen Energy, 46(80), 40196-40202. https://doi.org/10.1016/j.ijhydene.2021.09.216

Hydrogen storage properties of K2Mn(NH2)4–8LiH were investigated by considering its de/re-hydrogenation properties and reaction mechanisms. Experimental results show that the dehydrogenated K2Mn(NH2)4–8LiH can be almost re-hydrogenated completely at... Read More about Hydrogen storage properties and reaction mechanisms of K2Mn(NH2)4–8LiH system.