Composite Functional Materials

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Research progress on Ti-based materials for MgH₂ hydrogen storage systems

Huanhuan Zhang, Yanping Fan, Shuyan Guan, Wen-Gang Cui, Mingchang Zhang, Zhenglong Li, Yuhai Dou, Jiarui Yang, Zechao Zhuang, Zhenluo Yuan, Shiqian Zhao, Dingsheng Wang, Baozhong Liu, Hongge Pan

Composite Functional Materials, 2025, 1(2): 20250201. DOI: 10.63823/20250201

Number	Materials	Onset dehydrogenation temperature (°C)	Release capacity (wt.%)	Activation energy (kJ/mol)	Ref.
1	MgH₂-12Ti	300	6.39	－	[239]
2	85MgH₂+15Ti	320	5.51	－	[240]
3	Mg@Ti@Ni	400	6.27	63.7	[242]
4	Mg-Ti NPs	280	5.3	68	[243]
5	AlCl₃/Ti	400	6.0	113.7	[245]
6	Ti-Mn-Cr	362	－	－	[247]
7	Mg-Ti-H	150	5.0	－	[249]
8	Ti/MgH₂	－	－	89.4	[250]
9	MgH₂-TiH₂	－	7.3	－	[251]
10	MgH₂-TiH₂ NCs	300	4.9	－	[253]
11	MgH₂-TiO₂	200	6.29	75.3	[263]
12	MgH₂+ 5wt% TiO₂ NS	180.5	6.0	67.6	[72]
13	MgH₂-TiO₂	350	5.5	－	[264]
14	MgH₂-DOM TiO₂	300	5.75	72.8	[265]
15	MgH₂/5wt% TiO₂	307	－	110.9	[266]
16	K-TiO_2−x	194	6.0	69.1	[268]
17	MgH₂-10wt% TiO₂@C	205	6.5	106	[274]
18	MgH₂-TiO₂@C	199.2	6.0	67.10	[96]
19	MgH₂-TiO₂ SCNPs/AC	163.5	6.5	69.2	[275]
20	MgH₂-Ni/TiO₂	232	6.5	43.7	[95]
21	MgH₂-Ti₃AlCN	205	6.6	94.2	[282]
22	Mg+7wt% MAX	236	5.6	60.9	[283]
23	MgH₂-7wt% Ti₃AlC₂	205	6.9	104.7	[284]
24	MgH₂-Ti₃C₂	205	4.6	57.5	[292]
25	MgH₂-5 wt%Ti₂C	－	－	157.9	[293]
26	60MgH₂@Ti-MX	140	6.4	－	[40]
27	5wt% Ti₃C₂-MgH₂	300	6.2	－	[294]
28	MgH₂/5TiC/5Fe-12Cr	275	5.5	97.74	[295]
29	Mg₉₆(TiC)₄@C	400	6.5	56.5	[296]
30	Mg-20wt % Ti_0.16Cr_0.24V_0.6	224	－	76.32	[297]
31	MgH₂-20wt% Ti_0.35Cr_0.45V_0.2	256	5.30	86.43	[298]
32	MgH₂-9wt% NbTiC	195	6.8	80.0	[299]
33	MgH₂/10wt% TiMn₂	225	5.1	82.9	[300]
34	MgH₂+10wt%-TiFe	175	6.5	60.7	[135]
35	MgH₂+Ni@Ti-MX	250	5.2	73.0	[315]
36	MgH₂-5wt% Ni₃₀-FLTi₃C₂T_x	250	5.83	106.92	[316]
37	MgH₂-5wt% Ti₃C₂/TiO₂(A)-C	125	4.0	77.69	[317]
38	MgH₂-10wt% FeOOH NDs@G	325	6.3	125.03	[318]
39	MgH₂+5wt% K₂Ti₆O₁₃	175	6.7	105.67	[333]
40	MgH₂-Na₂Ti₃O₇ NTs	233.5	6.5	70.43	[334]
41	MgH₂-TiNb₂O₇	178	5.7	100.4	[335]
42	MgH₂+20wt% BaTiO₃	270	－	108	[337]
43	MgH₂-10wt% SrTiO₃-Ni	260	6.0	98.6	[338]
44	MgH₂-6wt% NiTiO₃	235	7.4	74	[99]
45	Mg-NiTiO₃/TiO₂	193.2	6.6	69.8	[134]
46	MgH₂-Li₂TiO₃	170	－	84	[339]
47	MgH₂-5wt% PrF₃/Ti₃C₂	180	7.0	78.11	[92]

Table 3. The performance comparison of different Ti-based materials.

Other figure/table from this article

Fig. 1 (a, b) Amounts of publications and citations, (c) corresponding classification of research topics in publications using “Ti-based materials OR Ti materials OR Titanium-based composites”, “Magnesium hydrogen storage” as keywords since 2015.
Fig. 2 Schematic illustration of Ti-based additives on hydrogen storage of MgH₂.
Fig. 3 Mechanism characterization and technology of Ti-based supports. (a-c) MgH₂+K₂Ti₈O₁₇. Reproduced with permission [91]. Copyright 2021, Elsevier. (d-f) MgH₂/TiO₂. Reproduced with permission [93]. Copyright 2022, Springer.
Fig. 4 Investigations on multiple valence titanium mechanism: (a) MgH₂-Ni/TiO₂. Reproduced with permission [95]. Copyright 2019, Elsevier. (b) MgH₂+fl-TiO₂@C. Reproduced with permission [96]. Copyright 2019, Elsevier. (c-e) XPS characterization of various materials before and after dehydrogenation. Reproduced with permission [97]. Copyright 2022, Elsevier. (f) Ti₃C₂-based MgH₂ at different states. Reproduced with permission [98]. Copyright 2021, Elsevier. (g) Ti and Ni in MgH₂ hydrogen storage system. Reproduced with permission [99]. Copyright 2018, American Chemical Society. (h) MgH₂/TiO₂. Reproduced with permission [93]. Copyright 2022, Springer. (i) NbN doped MgH₂. Reproduced with permission [100]. Copyright 2020, Elsevier.
Fig. 5 Investigations on “Hydrogen pump” effect mechanism. (a, b) MgH₂+10 wt.% Ni@C-MXene. Reproduced with permission [101]. Copyright 2020, Elsevier. (c-e) Mg@Pt. Reproduced with permission [102]. Copyright 2019, Royal Society of Chemistry.
Table 1. The comparison of different reaction mechanisms.
Fig. 6 Theoretical research of Ti-based additives on hydrogen storage based on pure DFT calculation. (a-d) The energy changes of Ti, Nb, Al, and In. Reproduced with permission [109]. Copyright 2017, Elsevier. (e-i) Mg-H, Ti-H and Ti-Mg bond of various structures. Reproduced with permission [111]. Copyright 2021, Elsevier. (j-k) Thermodynamic properties of TiH₂ in Debye temperature and heat capacity. Reproduced with permission [112]. Copyright 2020, Wiley.
Fig. 7 Theoretical research of Ti-based additives on hydrogen storage based on experimental verification guided by DFT calculation. (a) MgH₂ unit cell, Mg₁₆H₃₂ and Mg₁₅TMH₃₂ (TM = Ti or Ni). (b) Calculated dehydrogenation enthalpies and hydrogen removal energies of MgH₂-based system. (c) DSC (differential scanning calorimetry) curves of MgH₂-based materials. (d, e) Comparison of interatomic bond lengths and bond angles in MgH₂-based system. Reproduced with permission [117]. Copyright 2015, Elsevier.
Fig. 8 Corresponding information and presentation of various catalysts on hydrogen storage of MgH₂ and MgH₂-based composites. (a-c) Vanadium nanosheets. Reproduced with permission [137]. Copyright 2021, Nonferrous Metals Society of China. (d) MgH₂-PdNi, Reproduced with permission [138]. Copyright 2023, Wiley. (e) MgH₂-Ni₂P. Reproduced with permission [140]. Copyright 2022, Elsevier.
Fig. 9 Corresponding information and presentation of various catalysts on hydrogen storage of MgH₂ and MgH₂-based composites. (a) P-milling. Reproduced with permission [143]. Copyright 2017, Elsevier. (b) Mg₈₅In₅Al₅Ti₅ alloy by P-milling. Reproduced with permission [146]. Copyright 2015, Elsevier.
Fig. 10 (a-d) The corresponding information and presentation of ultrafine MgH₂ catalysts on hydrogen storage of MgH₂ and MgH₂-based composites. Reproduced with permission [148]. Copyright 2020, Royal Society of Chemistry.
Fig. 11 Corresponding information and presentation of different catalysts on hydrogen storage of MgH₂ and MgH₂-based composites. (a, b) MgH₂-TiO₂. Reproduced with permission [190]. Copyright 2022, Elsevier. (c) MgH₂@Ti-MX. Reproduced with permission [40]. Copyright 2021, American Chemical Society. (d) MgH₂/TiO₂. Reproduced with permission [93]. Copyright 2022, Springer. (e, f) MgH₂@pCNF. Reproduced with permission [192]. Copyright 2022, Elsevier.
Table 2. The comparison of different reaction strategies.
Fig. 12 Corresponding characterization from the morphology, performance and mechanism characterization of Ti-based materials. (a) Reproduced with permission [249]. Copyright 2020, Elsevier. (b, c) Reproduced with permission [251]. Copyright 2019, Royal Society of Chemistry. (d, e) 3D Ti₃C₂ MXene. Reproduced with permission [252]. Copyright 2017, American Chemical Society.
Fig. 13 Corresponding information and presentation of different catalysts on hydrogen storage of MgH₂ and MgH₂-based composites. (a, b) TiO₂ NS with exposed {001} facets. Reproduced with permission [72]. Copyright 2019, Royal Society of Chemistry. (c-f) TiO₂@C. Reproduced with permission [274]. Copyright 2018, Elsevier.
Fig. 14 Morphology, performance and mechanism characterization of TiC_x-based materials. (a, b) Some transitional metal carbides. Reproduced with permission [292]. Copyright 2021, Elsevier. (c, d) 3D Ti₃C₂ MXene. Reproduced with permission [40]. Copyright 2021, American Chemical Society.
Fig. 15 The corresponding characterization from the morphology, performance and mechanism characterization of polymetallic titanium compounds. (a-d) NbTi cluster. Reproduced with permission [299]. Copyright 2019, Royal Society of Chemistry. (e, f) TiMn₂ compound. Reproduced with permission [300]. Copyright 2019, Royal Society of Chemistry.
Fig. 16 The corresponding characterization from the morphology, performance and mechanism characterization of materials supported on Ti-based supports. (a, b) Ti₃C₂ MXene-based catalyst (Ni@Ti-MX). Reproduced with permission [315]. Copyright 2020, American Chemical Society. (c, d) few-layer Ti₃C₂T_x (FL-Ti₃C₂T_x) supporting highly dispersed nano-Ni particles. Reproduced with permission [316]. Copyright 2020, American Chemical Society. (e, f) graphene nanosheet-supported FeOOH nanodots. Reproduced with permission [318]. Copyright 2022, Springer.
Fig. 17 Corresponding characterization from the morphology, performance and mechanism characterization of Ti-based materials. (a-c) K₂Ti₆O₁₃. Reproduced with permission [333]. Copyright 2020, American Chemical Society. (d, e) Oxygen Vacancies modified Na₂Ti₃O₇. Reproduced with permission [90]. Copyright 2022, American Chemical Society. (f, g) TiNb₂O₇. Reproduced with permission [335]. Copyright 2022, Wiley.
Fig. 18 Final summary and future outlook of Ti-based additives on Mg-based hydrogen storage system.

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