@misc{shang_ultralightweight_compositionally_2023, 
author={Shang, Y., Lei, Z., Alvares, E., Garroni, S., Chen, T., Dore, R., Rustici, M., Enzo, S., Schökel, A., Shi, Y., Jerabek, P., Lu, Z., Klassen, T., Pistidda, C.},
title={Ultra-lightweight compositionally complex alloys with large ambient-temperature hydrogen storage capacity},
year={2023},
howpublished = {journal article},
doi = {https://doi.org/10.1016/j.mattod.2023.06.012},
abstract = {In the burgeoning field of hydrogen energy, compositionally complex alloys promise unprecedented solid-state hydrogen storage applications. However, compositionally complex alloys are facing one main challenge: reducing alloy density and increasing hydrogen storage capacity. Here, we report TiMgLi-based compositionally complex alloys with ultralow alloy density and significant room-temperature hydrogen storage capacity. The record-low alloy density (2.83 g cm−3) is made possible by multi-principal-lightweight element alloying. Introducing multiple phases instead of a single phase facilitates obtaining a large hydrogen storage capacity (2.62 wt% at 50 °C under 100 bar of H2). The kinetic modeling results indicate that three-dimensional diffusion governs the hydrogenation reaction of the current compositionally complex alloys at 50 °C. The here proposed approach broadens the horizon for designing lightweight compositionally complex alloys for hydrogen storage purposes.},
note = {Online available at: \url{https://doi.org/10.1016/j.mattod.2023.06.012} (DOI). Shang, Y.; Lei, Z.; Alvares, E.; Garroni, S.; Chen, T.; Dore, R.; Rustici, M.; Enzo, S.; Schökel, A.; Shi, Y.; Jerabek, P.; Lu, Z.; Klassen, T.; Pistidda, C.: Ultra-lightweight compositionally complex alloys with large ambient-temperature hydrogen storage capacity. Materials Today. 2023. vol. 67, 113-126. DOI: 10.1016/j.mattod.2023.06.012}}
@misc{sellschopp_multiscale_modelling_2023, 
author={Sellschopp, K., Alvares, E., Santhosh, A., Pistidda, C., Jerabek, P.},
title={Multi-Scale Modelling of TiFe-based hydrides for room temperature hydrogen storage},
year={2023},
howpublished = {conference lecture: Dunedin (NZL);},
note = {Sellschopp, K.; Alvares, E.; Santhosh, A.; Pistidda, C.; Jerabek, P.: Multi-Scale Modelling of TiFe-based hydrides for room temperature hydrogen storage. 1st New Zealand Hydrogen Symposium. Dunedin (NZL), 2023.}}
@misc{pasquini_magnesium_and_2022, 
author={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., Heo, T.W., Hirscher, M., Humphries, T.D., Huot, J., Jacob, I., Jensen, T.R., Jerabek, P., Kang, S.Y., Keilbart, N., Kim, H., Latroche, M., Leardini, F., Li, H., Ling, S., Lototskyy, M.V., Mullen, R., Orimo, S.-I., Paskevicius, M., Pistidda, C., Polanski, M., Puszkiel, J., Rabkin, E., Sahlberg, M., Sartori, S., Santhosh, A., Sato, T., Shneck, R.Z., Sørby, M.H., Shang, Y., Stavila, V., Suh, J.-Y., Suwarno, S., Thi Thu, L., Wan, L.F., Webb, C.J., Witman, M., Wan, C., Wood, B.C., Yartys, V.A.},
title={Magnesium- and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties},
year={2022},
howpublished = {journal article},
doi = {https://doi.org/10.1088/2516-1083/ac7190},
abstract = {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 and temperature conditions. Therefore, they are expected to play an important role in the clean energy transition and in the deployment of hydrogen as an efficient energy vector. This review, by experts of Task 40 'Energy Storage and Conversion based on Hydrogen' of the Hydrogen Technology Collaboration Programme of the International Energy Agency, reports on the latest activities of the working group 'Magnesium- and Intermetallic alloys-based Hydrides for Energy Storage'. The following topics are covered by the review: multiscale modelling of hydrides and hydrogen sorption mechanisms; synthesis and processing techniques; catalysts for hydrogen sorption in Mg; Mg-based nanostructures and new compounds; hydrides based on intermetallic TiFe alloys, high entropy alloys, Laves phases, and Pd-containing alloys. Finally, an outlook is presented on current worldwide investments and future research directions for hydrogen-based energy storage.},
note = {Online available at: \url{https://doi.org/10.1088/2516-1083/ac7190} (DOI). Pasquini, L.; Sakaki, K.; Akiba, E.; Allendorf, M.; Alvares, E.; Ares, J.; Babai, D.; Baricco, M.; Bellosta Von Colbe, J.; Bereznitsky, M.; Buckley, C.; Cho, Y.; Cuevas, F.; De Rango, P.; Dematteis, E.; Denys, R.; Dornheim, M.; Fernández, J.; Hariyadi, A.; Hauback, B.; Heo, T.; Hirscher, M.; Humphries, T.; Huot, J.; Jacob, I.; Jensen, T.; Jerabek, P.; Kang, S.; Keilbart, N.; Kim, H.; Latroche, M.; Leardini, F.; Li, H.; Ling, S.; Lototskyy, M.; Mullen, R.; Orimo, S.; Paskevicius, M.; Pistidda, C.; Polanski, M.; Puszkiel, J.; Rabkin, E.; Sahlberg, M.; Sartori, S.; Santhosh, A.; Sato, T.; Shneck, R.; Sørby, M.; Shang, Y.; Stavila, V.; Suh, J.; Suwarno, S.; Thi Thu, L.; Wan, L.; Webb, C.; Witman, M.; Wan, C.; Wood, B.; Yartys, V.: Magnesium- and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties. Progress in Energy. 2022. vol. 4, no. 3, 032007. DOI: 10.1088/2516-1083/ac7190}}
@misc{taube_applications_for_2022, 
author={Taube, K., Pistidda, C., Jerabek, P., Puszkiel, J., Shang, Y., Cao, H., Alvares, E., Passing, M., Kutzner, H., Jepsen, J., Dornheim, M., Klassen, T.},
title={Applications for metal hydrides – current projects and challenges},
year={2022},
howpublished = {conference lecture (invited): Paris (FRA);},
note = {Taube, K.; Pistidda, C.; Jerabek, P.; Puszkiel, J.; Shang, Y.; Cao, H.; Alvares, E.; Passing, M.; Kutzner, H.; Jepsen, J.; Dornheim, M.; Klassen, T.: Applications for metal hydrides – current projects and challenges. The International Day on Hydrides and Energy Storage. Paris (FRA), 2022.}}
@misc{macedoalvares_developing_a_2022, 
author={Macedo Alvares, E., Sellschopp, K., Tae Wook, H., Jerabek, P.},
title={Developing a quantitative-based phase-field model for the FeTi hydrogenation},
year={2022},
howpublished = {conference lecture: Warschau (POL);},
note = {Macedo Alvares, E.; Sellschopp, K.; Tae Wook, H.; Jerabek, P.: Developing a quantitative-based phase-field model for the FeTi hydrogenation. 2022 Fall Meeting - European Materials Research Society (E-MRS). Warschau (POL), 2022.}}
@misc{alvares_modeling_the_2022, 
author={Alvares, E., Jerabek, P., Shang, Y., Santhosh, A., Pistidda, C., Heo, T., Sundman, B., Dornheim, M.},
title={Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study},
year={2022},
howpublished = {journal article},
doi = {https://doi.org/10.1016/j.calphad.2022.102426},
abstract = {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 OpenCalphad software, the thermodynamics of the (FeTi)H (0 1) system were assessed as a key basis for modeling hydrogenation of FeTi-based alloys. New thermodynamic data were acquired from our experimental pressure-composition-isotherm (PCI) curves, as well as first-principles calculations utilizing density functional theory (DFT). The thermodynamic phase models were carefully selected based on critical analysis of literature information and ab-initio investigations. Key thermodynamic properties such as dissociation pressure, formation enthalpies and phase diagrams were calculated in good agreement to our performed experiments and literature-reported data. This work provides an initial perspective, which can be extended to account for higher-order thermodynamic assessments and subsequently enables the design of novel FeTi-based hydrides. In addition, the assessed thermodynamic data can serve as key inputs for kinetic models and hydride microstructure simulations.},
note = {Online available at: \url{https://doi.org/10.1016/j.calphad.2022.102426} (DOI). Alvares, E.; Jerabek, P.; Shang, Y.; Santhosh, A.; Pistidda, C.; Heo, T.; Sundman, B.; Dornheim, M.: Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study. Calphad. 2022. vol. 77, 102426. DOI: 10.1016/j.calphad.2022.102426}}
@misc{alvares_ab_initio_2021, 
author={Alvares, E., Santhosh, A., Sundman, B., Dornheim, M., Jerabek, P.},
title={Ab initio analysis and thermodynamic assessment of FeTi hydrogenation},
year={2021},
howpublished = {conference lecture: Virtual;},
note = {Alvares, E.; Santhosh, A.; Sundman, B.; Dornheim, M.; Jerabek, P.: Ab initio analysis and thermodynamic assessment of FeTi hydrogenation. E-MRS 2021 Fall Meeting. Virtual, 2021.}}
@misc{alvares_abinitio_investigation_2021, 
author={Alvares, E., Santhosh, A., Sundman, B., Dornheim, M., Jerabek, P.},
title={Ab-initio investigation and thermodynamic assessment of FeTi hydrogenation},
year={2021},
howpublished = {conference lecture: Virtual;},
note = {Alvares, E.; Santhosh, A.; Sundman, B.; Dornheim, M.; Jerabek, P.: Ab-initio investigation and thermodynamic assessment of FeTi hydrogenation. E-MRS 2021 Fall Meeting. Virtual, 2021.}}