REFERENCES

1. Komm, M. ITER: The giant fusion reactor. Bringing a sun to earth. Fusion. Sci. Technol. 2020, 76, 696-7.

2. Liang, Z.; Xiao, X.; Qi, J.; Kou, H.; Chen, L. ZrCo-based hydrogen isotopes storage alloys: A review. J. Alloys. Compd. 2023, 932, 167552.

3. Anand, N.; Pati, S.; Jat, R. A.; Parida, S.; Mukerjee, S. Hydrogen isotope effect on thermodynamic properties of Pd_0.9X_0.1 (X = Cu, Ag and Au) alloys. Int. J. Hydrog. Energy. 2017, 42, 3136-41.

4. Shuai, M.; Su, Y.; Wang, Z.; Zhao, P.; Zou, J.; Wu, S. Hydrogen absorption-desorption properties of UZr_0.29 alloy. J. Nucl. Mater. 2002, 301, 203-9.

5. Yao, Z.; Xiao, X.; Liang, Z.; et al. An in-depth study on the thermodynamics and kinetics of disproportionation behavior in ZrCo-H systems. J. Mater. Chem. A. 2020, 8, 9322-30.

6. Wang, F.; Li, R.; Ding, C.; et al. Recent progress on the hydrogen storage properties of ZrCo-based alloys applied in international thermonuclear experimental reactor (ITER). Prog. Nat. Sci. Mater. Int. 2017, 27, 58-65.

7. Kou, H.; Huang, Z.; Luo, W.; et al. Experimental study on full-scale ZrCo and depleted uranium beds applied for fast recovery and delivery of hydrogen isotopes. Appl. Energy. 2015, 145, 27-35.

8. Glugla, M.; Lässer, R.; Dörr, L.; Murdoch, D.; Haange, R.; Yoshida, H. The inner deuterium/tritium fuel cycle of ITER. Fusion. Eng. Des. 2003, 69, 39-43.

9. Bhattacharyya, R.; Mohan, S. Solid state storage of hydrogen and its isotopes: an engineering overview. Renew. Sust. Energy. Rev. 2015, 41, 872-83.

10. Liu, Y.; Yang, Z.; Xiao, X.; et al. Enhancing disproportionation resistance of Zr₂Co-based alloys by regulating the binding energy of H atom. Renew. Energy. 2024, 233, 121153.

11. Qi, J.; Huang, X.; Xiao, X.; et al. Isotope engineering achieved by local coordination design in Ti-Pd co-doped ZrCo-based alloys. Nat. Commun. 2024, 15, 2883.

12. Hara, M.; Hayakawa, R.; Kaneko, Y.; Watanabe, K. Hydrogen-induced disproportionation of Zr₂M (M=Fe, Co, Ni) and reproportionation. J. Alloy. Compd. 2003, 352, 218-25.

13. Ruz, P.; Sudarsan, V. An investigation of hydriding performance of Zr₂-_xTi_xNi (x=0.0, 0.3, 0.7, 1.0) alloys. J. Alloy. Compd. 2015, 627, 123-31.

14. Liu, Y.; Zhou, P.; Xiao, X.; et al. Deep insight of unique phase transition behaviors and mechanism in Zr₂Co-H isotope system with ultra-low equilibrium pressure. Rare. Met. 2024, 43, 212-24.

15. Liu, Y.; Yang, Z.; Zhou, P.; et al. A review of classical hydrogen isotopes storage materials. Mater. Rep:. Energy. 2024, 4, 100250.

16. Fukada, S.; Nishikawa, M. Empirical expression for the pressure-composition-temperature curve of the Zr₂Fe-deuterium system. J. Alloy. Compd. 1996, 234, L7-L10.

17. Prigent, J.; Latroche, M.; Leoni, E.; Rohr, V. Hydrogen trapping properties of Zr-based intermetallic compounds in the presence of CO contaminant gas. J. Alloy. Compd. 2011, 509, S801-3.

18. Song, J.; Wang, J.; Hu, X.; Meng, D.; Wang, S. Activation and disproportionation of Zr₂Fe alloy as hydrogen storage material. Molecules 2019, 24, 1542.

19. Janot, R.; Latroche, M.; Percheron-guégan, A. Development of a hydrogen absorbing layer in the outer shell of high pressure hydrogen tanks. Mater. Sci. Eng:. B. 2005, 123, 187-93.

20. Pitt, M.; Pitt, L.; Fjellvåg, H.; Hauback, B. An in situ neutron diffraction study of the thermal disproportionation of the Zr₂FeD₅ system. J. Alloy. Compd. 2011, 509, 5515-24.

21. Sharp, J. H.; Brindley, G. W.; Achar, B. N. N. Numerical data for some commonly used solid state reaction equations. J. Am. Ceram. Soc. 1966, 49, 379-82.

22. Jones, L.; Dollimore, D.; Nicklin, T. Comparison of experimental kinetic decomposition data with master data using a linear plot method. Thermochimica. Acta. 1975, 13, 240-5.

23. Xu, F.; Wang, B.; Yang, D.; Hao, J.; Qiao, Y.; Tian, Y. Thermal degradation of typical plastics under high heating rate conditions by TG-FTIR: pyrolysis behaviors and kinetic analysis. Energy. Convers. Manage. 2018, 171, 1106-15.

24. Jia, Y.; Han, B.; Wang, J.; et al. Inducing one-step dehydrogenation of magnesium borohydride via confinement in robust dodecahedral nitrogen-doped porous carbon scaffold. Adv. Mater. 2024, 36, e2406152.

25. Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B. 1996, 54, 11169-86.

26. Forozani, G.; Mohammad, A. A. A.; Baizaee, S. M.; Gharaati, A. Structural, electronic and magnetic properties of CoZrIrSi quaternary heusler alloy: first-principles study. J. Alloy. Compd. 2020, 815, 152449.

27. Momma, K.; Izumi, F. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J. Appl. Crystallogr. 2011, 44, 1272-6.

28. Song, C.; Ding, F.; Ye, R.; et al. Hydrogen diffusion and anti-disproportionation properties in ZrCo alloys: the effect of Sc, V, and Ni dopants. Int. J. Hydrog. Energy. 2023, 48, 23607-19.

29. Guo, X.; Zhang, S.; Kou, L.; et al. Data-driven pursuit of electrochemically stable 2D materials with basal plane activity toward oxygen electrocatalysis. Energy. Environ. Sci. 2023, 16, 5003-18.

30. Qi, J.; Liang, Z.; Xiao, X.; et al. Effect of isostructural phase transition on cycling stability of ZrCo-based alloys for hydrogen isotopes storage. Chem. Eng. J. 2023, 455, 140571.

31. Bogdanović, B.; Sandrock, G. Catalyzed complex metal hydrides. MRS. Bull. 2002, 27, 712-6.

32. Yao, Z.; Xiao, X.; Liang, Z.; et al. Improvement on the kinetic and thermodynamic characteristics of Zr_1-xNb_xCo (x = 0-0.2) alloys for hydrogen isotope storage and delivery. J. Alloy. Compd. 2019, 784, 1062-70.

33. Zhou, Z.; Han, L.; Bollas, G. M. Kinetics of NiO reduction by H₂ and Ni oxidation at conditions relevant to chemical-looping combustion and reforming. Int. J. Hydrog. Energy. 2014, 39, 8535-56.

34. Pielichowski, K.; Flejtuch, K. Non-oxidative thermal degradation of poly (ethylene oxide): kinetic and thermoanalytical study. J. Anal. Appl. Pyrolysis. 2005, 73, 131-8.

35. Khawam, A.; Flanagan, D. R. Solid-state kinetic models: basics and mathematical fundamentals. J. Phys. Chem. B. 2006, 110, 17315-28.

36. Martens, A.; Weis, P.; Krummer, M. C.; et al. Facile and systematic access to the least-coordinating WCA [(R^FO)₃Al-F-Al(OR^F)₃]^- and its more lewis-basic brother [F-Al(OR^F)₃]^- (R^F = C(CF₃)₃). Chem. Sci. 2018, 9, 7058-68.

37. Yang, Z. Y.; Yuan, Y. F.; Zhu, M.; Yin, S. M.; Cheng, J. P.; Guo, S. Y. Superior rate-capability and long-lifespan carbon nanotube-in-nanotube@Sb₂S₃ anode for lithium-ion storage. J. Mater. Chem. A. 2021, 9, 22334-46.

38. Han, B.; Jia, Y.; Wang, J.; et al. The structural, energetic and dehydrogenation properties of pure and Ti-doped Mg (0001) /MgH₂ (110) interfaces. J. Mater. Chem. A. 2023, 11, 26602-16.

39. Wolverton, C.; Ozoliņš, V.; Asta, M. Hydrogen in aluminum: first-principles calculations of structure and thermodynamics. Phys. Rev. B. 2004, 69.

40. Dompablo ME, Tartaj P, Amarilla JM, Amador U. Computational investigation of Li insertion in Li₃VO₄. Chem. Mater. 2016, 28, 5643-51.

41. Nagasako, N.; Fukumoto, A.; Miwa, K. First-principles calculations of C14 -type laves phase Ti-Mn hydrides. Phys. Rev. B. 2002, 66.

42. Sun, S.; Han, Z.; Liu, W.; et al. Lattice pinning in MoO₃ via coherent interface with stabilized Li⁺ intercalation. Nat. Commun. 2023, 14, 6662.

43. Li, C.; Yang, W.; Liu, H.; et al. Picturing the gap between the performance and US-DOE's hydrogen storage target: a data-driven model for MgH₂ dehydrogenation. Angew. Chem. Int. Ed. Engl. 2024, 63, e202320151.