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Frontiers in Energy

ISSN 2095-1701

ISSN 2095-1698(Online)

CN 11-6017/TK

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Front. Energy    2023, Vol. 17 Issue (1) : 72-101    https://doi.org/10.1007/s11708-022-0835-7
REVIEW ARTICLE
Chemisorption solid materials for hydrogen storage near ambient temperature: a review
Yiheng ZHANG, Shaofei WU, Liwei WANG(), Xuefeng ZHANG
Key Laboratory of Power Machinery and Engineering of the Ministry of Education, Shanghai Jiao Tong University, Shanghai 200240, China
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Abstract

Solid chemisorption technologies for hydrogen storage, especially high-efficiency hydrogen storage of fuel cells in near ambient temperature zone defined from − 20 to 100°C, have a great application potential for realizing the global goal of carbon dioxide emission reduction and vision of carbon neutrality. However, there are several challenges to be solved at near ambient temperature, i.e., unclear hydrogen storage mechanism, low sorption capacity, poor sorption kinetics, and complicated synthetic procedures. In this review, the characteristics and modification methods of chemisorption hydrogen storage materials at near ambient temperature are discussed. The interaction between hydrogen and materials is analyzed, including the microscopic, thermodynamic, and mechanical properties. Based on the classification of hydrogen storage metals, the operation temperature zone and temperature shifting methods are discussed. A series of modification and reprocessing methods are summarized, including preparation, synthesis, simulation, and experimental analysis. Finally, perspectives on advanced solid chemisorption materials promising for efficient and scalable hydrogen storage systems are provided.
Keywords hydrogen storage capacity      chemisorption      near-ambient-temperature      modification methods      alloy hydrides     
Corresponding Author(s): Liwei WANG   
Online First Date: 26 September 2022    Issue Date: 29 March 2023
 Cite this article:   
Yiheng ZHANG,Shaofei WU,Liwei WANG, et al. Chemisorption solid materials for hydrogen storage near ambient temperature: a review[J]. Front. Energy, 2023, 17(1): 72-101.
 URL:  
https://academic.hep.com.cn/fie/EN/10.1007/s11708-022-0835-7
https://academic.hep.com.cn/fie/EN/Y2023/V17/I1/72
Fig.1  Octahedral and tetrahedral interstitial sites in the FCC, the HCP, and the BCC structure.
Intermetallic compound Prototype Hydrides Structure
AB5 LaNi5 LaNi5H6 Haucke phases, hexagonal
AB2 ZrV2, ZrMn2, TiMn2 ZrV2H5.5 Laves phase, hexagonal or cubic
AB3 CeNi3, YFe3 CeNi3H4 Hexagonal, PuNi3 type
A2B7 Y2Ni7, Th2Fe7 Y2Ni7H3 Hexagonal, Ce2Ni7 type
A6B23 Y6Fe23 Ho6Fe23H12 Cubic, Th6Mn23 type
AB TiFe, ZrNi TiFeH2 Cubic, CsCl or CrB type
A2B Mg2Ni, Ti2Ni Mg2NiH4 Cubic, MoSi2 or Ti2Ni type
Tab.1  Most important families of intermetallic compounds forming hydrides including the prototype and the structure [40]
Fig.2  Unit cell characteristic of Laves phases (adapted with permission from Refs. [41,42]).
Fig.3  Metal-hydrogen phase equilibrium diagram and the schematic diagram of lattice (adapted with permission from Ref. [33]).
Fig.4  Emphasized area representing the ideal working temperature and pressure range (adapted with permission from Refs. [42,50]).
Fig.5  Experiment results of magnesium hydride doping Ti intermetallic catalysts (adapted with permission from Ref. [69]).
Fig.6  Crystal structures and hydrogen storage performance of doped Mg hydride.
Based material Additive material Method Capacity /wt.% Pressure /bar Tsorption /°C Tdesorption /°C Ref.
MgH2 – Ultrasound-driven liquid-solid phase metathesis strategy 6.7 30 30 30 [63]
MgH2 Nanoparticle Fe, Co, Ni, and Cu Doping catalysts 6.5 30 – 150–250 [22]
MgH2 Ti intermetallic Doping catalysts 3.3/5.1 1 25 ?3 [69]
MgH2 Mg vacancies and hydrogen doping First principles calculations 9.816 – – 16–120 [73]
MgH2 Metals First principles calculations, Monte Carlo simulations 7.081–7.660 10 360 53–176 [74]
MgH2 Metals Alloying 0.7 100 32 32 [75]
Tab.2  Mg-based materials and the properties
Fig.7  Reactor system for hydrogen generation by reacting with water vapor (adapted with permission from Ref. [77]).
Fig.8  P-C-T curve of Ca-based composites under various conditions (Refs. [81–83]).
Fig.9  Optimized atomic geometries of Ca-decorated defective boron nitride nanosheets (adapted with permission from Ref. [87]).
Based material Additive material Method Capacity/(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
Ca Ni Alloying 1.9 25 25 25 [23]
Ca Ni Alloying 1.48 0.1–0.5 10–80 10–80 [34]
CaNi5 Zr, Cr Metal Substitute 1.04/1.05/0.85 0.42–0.72 25 25 [81]
Ca Mg, Ni Alloying 0.85–1.56 0.4–12 30 30 [82]
Ca Mg, Ni Alloying 1.71/1.23 30 25 25 [83]
CaNi5 Pd Alloying 0.8 1 25 25 [84–86]
CaH2 Mg17Al12 Inducing and hydrolysis 13.6 40–50 ? 70 [78]
Tab.3  Ca-based materials and the properties
Based material Additive material Capacity/(wt. %) Ref.
BNNT Ca 6.4/6.9 [87]
B40 fullerene Ca 6.66 [88]
C60 fullerene Ca 8.4 [89]
Graphene Ca 8.4 [90]
Graphene Ca 5 [91]
Graphene Ca 7.69 [92]
Tab.4  Simulation results of Ca-based materials
Based material Additive material Method Capacity /(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
Alanate Be Doping element 19 50 – 250 [95]
TiFe Be Alloying 1.4 10–20 50 10–20 [96]
LiH Be Alloying 8.7 40 270-300 150 [59]
Single-walled carbon nanotubes Be First principles/molecular dynamics calculations 16 267 25 25 [101]
Be B First principles calculations 25.3/21.1 – 27 27 [99]
Graphene B, Be First principles calculations 12.4 – 27 27 [97]
BeO Nano cage First principles calculations 7.64 – – – [102]
Tab.5  Be-based materials and properties
Fig.10  Cyclic performance of LaNi5-xCox alloys in hydrogen (adapted with permission from Ref. [24]).
Based material Additive material Method Capacity/(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
LaNi5 Co Alloying 1.561 30 70–110 70–110 [24]
LaNi5 Al Alloying 1.4 65 70 70 [103]
MmNi5 w(La) = 22%, w(Ce) = 52%, w(Nd) = 15%, w(Pr) = 11% Mechanical modification 1.5 90 27 27 [25]
MmNi5 Al Alloying 1.3/1.5 25–35 30 0 [104]
Tab.6  Rare-earth metal and properties
Fig.11  Model and results of LaNi5-based hydrogen storage reactor (adapted with permission from Ref. [105]).
Fig.12  Proportion of the research aspects in metal hydride hydrogen storage system (adapted with permission from Ref. [110]).
Fig.13  Passive enhancements of heat transfer in metal hydride hydrogen storage system.
Fig.14  Isotherm section at 1000? °C of the Ti-Fe-Mn phase and investigated compositions (dots in blue, zoomed and labeled in the up left corner) (adapted with permission from Ref. [125]).
Based material Additive material Method Capacity /(wt. %) Pressure /bar Tsorption /°C Tdesorption /°C Ref.
TiFe Hexane (C6H14) and ethanol (CH3CH2OH) Mechanical modification 1.2 30 25 25 [26]
TiFe Mn Alloying 1.63 50 25 25 [125]
TiFe Cr, Mn, Y Alloying 1.4 30 10–50 10–50 [126]
Ti Mn, Cr, Zr, V Alloying 1.88 26.4–93.7 30–90 30–90 [27]
Ti, Mn V, Zr, Cr, Fe Alloying 1.7 15–350 27–50 27–50 [127]
C24 fullerene Ti First principles calculations 10.5 0–50 ?173 to 27 ?28 to 253 [128]
borophene χ3 Ti First principles calculations 15.065 — — — [131]
Zigzag graphene nanoribbons Ti First principles calculations 6.4 — 25 25 [132]
Tab.7  Ti-based materials and the properties
Fig.15  Automotive storage of hydrogen in alane (adapted with permission from Ref. [29]).
Based material Additive material Method Capacity/(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
Alane – Simulation 4.2 – 200 200 [29]
Alane – Nano-confining 0.25 60 150 60–155 [134]
AlH3 TiO2 and Pr6O11 Ball milling 8.3 – – 43 [135]
NaAlH4 TiCl3 Composition / – 148–220 148–220 [136]
Na3AlH6 Ti/TiCl3 Doping 1.7 25 170 170 [137]
Tab.8  Al-based materials and properties
Fig.16  Formation of coarse grains of C14 Laves phase and fine grains of Ti- and Ni-rich cubic phase in high-entropy alloy TiZrMnCrFeNi (adapted with permission from Ref. [140]).
Based material Additive material Method Capacity/(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
TiVZrHfNb – Composition 1.2 2–20 300 100–400 [30]
TiVZrNb Mg Doping 2.7 25 25 25 [139]
TiZrCrMnFeNi – Alloying 1.7 100 30 30 [140]
TiZrNbMoV – Laser engineerednet shaping 2.3 85 50 29 [142]
(Ti0.85Zr0.15)1.05Mn1.2Cr0.6V0.1 Ni, Fe and Cu Doping 1.81/1.58 40 0/45 – [143]
TiZrVMoNb – First principles calculations 2.65 50 – 302 [144,145]
Tab.9  HEA and properties
Fig.17  Preparation technics of polyetherimide-LaNi5 composite films (adapted with permission from Ref. [31]).
Based material Additive material Method Capacity/(wt. %) Pressure/bar Tsorption/°C Tdesorption/°C Ref.
LaNi5 Polyetherimide – 0.6 20 43 – [31]
Mg Pd Film 5 1 100 87 [146]
Mg Pd Film 3.5 1.5 70 150 [147]
Tab.10  Metal films and properties
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