[1] [1] LI J T. Oxygen evolution reaction in energy conversion and storage: design strategies under and beyond the energy scaling relationship［J］. Nano-Micro Letters, 2022, 14(1): 112.

[2] [2] FAYE O, SZPUNAR J, EDUOK U. A critical review on the current technologies for the generation, storage, and transportation of hydrogen［J］. International Journal of Hydrogen Energy, 2022, 47(29): 13771-13802.

[3] [3] SAKINTUNA B, LAMARI-DARKRIM F, HIRSCHER M. Metal hydride materials for solid hydrogen storage: a review［J］. International Journal of Hydrogen Energy, 2007, 32(9): 1121-1140.

[5] [5] MEDURI S, NANDANAVANAM J. Materials for hydrogen storage at room temperature--an overview［J］. Materials Today: Proceedings, 2023, 72: 1-8.

[6] [6] WANG L F, YANG R T. Hydrogen storage on carbon-based adsorbents and storage at ambient temperature by hydrogen spillover［J］. Catalysis Reviews, 2010, 52(4): 411-461.

[7] [7] YOON M, YANG S Y, HICKE C, et al. Calcium as the superior coating metal in functionalization of carbon fullerenes for high-capacity hydrogen storage［J］. Physical Review Letters, 2008, 100(20): 206806.

[8] [8] ZHENG N, YANG S L, XU H X, et al. A DFT study of the enhanced hydrogen storage performance of the Li-decorated graphene nanoribbons［J］. Vacuum, 2020, 171: 109011.

[12] [12] PUTUNGAN D B, LIN S H, WEI C M, et al. Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach［J］. Physical Chemistry Chemical Physics, 2015, 17(17): 11367-11374.

[13] [13] SONG N H, WANG Y S, GAO H Y, et al. Electric field improved hydrogen storage of Ca-decorated monolayer MoS2［J］. Physics Letters A, 2015, 379(9): 815-819.

[14] [14] TANG Z K, LI X B, ZHANG D Y, et al. Two-dimensional square-pyramidal VO2 with tunable electronic properties［J］. Journal of Materials Chemistry C, 2015, 3(13): 3189-3197.

[15] [15] LIN L, HU C C, XU S W, et al. First-principle investigation of CO adsorption on Pd-loaded VO2 monolayer［J］. Materials Today Communications, 2022, 32: 103681.

[17] [17] WANG Y S, SONG N H, SONG X Y, et al. Metallic VO2 monolayer as an anode material for Li, Na, K, Mg or Ca ion storage: a first-principle study［J］. RSC Advances, 2018, 8(20): 10848-10854.

[18] [18] KRESSE G, FURTHMLLER J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set［J］. Physical Review B, Condensed Matter, 1996, 54(16): 11169-11186.

[19] [19] KRESSE G, JOUBERT D. From ultrasoft pseudopotentials to the projector augmented-wave method［J］. Physical Review B, 1999, 59(3): 1758-1775.

[20] [20] PERDEW J P, BURKE K, ERNZERHOF M. Generalized gradient approximation made simple［J］. Physical Review Letters, 1996, 77(18): 3865-3868.

[21] [21] GRIMME S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction［J］. Journal of Computational Chemistry, 2006, 27(15): 1787-1799.

[23] [23] MA L C, WANG L C, SUN Y R, et al. First-principles study of hydrogen storage on Ca-decorated defective boron nitride nanosheets［J］. Physica E: Low-Dimensional Systems and Nanostructures, 2021, 128: 114588.

[24] [24] NIU J, RAO B K, JENA P. Binding of hydrogen molecules by a transition-metal ion［J］. Physical Review Letters, 1992, 68(15): 2277-2280.

[25] [25] KUBAS G J. Metal-dihydrogen and σ-bond coordination: the consummate extension of the Dewar-Chatt-Duncanson model for metal-olefin π bonding［J］. Journal of Organometallic Chemistry, 2001, 635(1/2): 37-68.

[26] [26] WANG Y S, JI Y, LI M, et al. Li and Ca co-decorated carbon nitride nanostructures as high-capacity hydrogen storage media［J］. Journal of Applied Physics, 2011, 110(9): 094311.

[27] [27] WU Q, SHI M M, HUANG X, et al. A first-principles study of Li and Na co-decorated T4, 4, 4-graphyne for hydrogen storage［J］. International Journal of Hydrogen Energy, 2021, 46(11): 8104-8112.

[28] [28] YUAN L H, WANG D B, GONG J J, et al. First-principles study of V-decorated porous graphene for hydrogen storage［J］. Chemical Physics Letters, 2019, 726: 57-61.

[29] [29] CHEN X F, WANG L, ZHANG W T, et al. Ca-decorated borophene as potential candidates for hydrogen storage: a first-principle study［J］. International Journal of Hydrogen Energy, 2017, 42(31): 20036-20045.

[30] [30] CHASE JR M W. NIST-JANAF thermochemical tables fourth edition［J］. Journal of Physical and Chemical Reference Data Monograph,1998.

[32] [32] WANG Y, LI A, WANG K A, et al. Reversible hydrogen storage of multi-wall carbon nanotubes doped with atomically dispersed lithium［J］. Journal of Materials Chemistry, 2010, 20(31): 6490-6494.

[33] [33] REYHANI A, MORTAZAVI S Z, MIRERSHADI S, et al. Hydrogen storage in decorated multiwalled carbon nanotubes by Ca, Co, Fe, Ni, and Pd nanoparticles under ambient conditions［J］. The Journal of Physical Chemistry C, 2011, 115(14): 6994-7001.

[34] [34] MEHRABI M, PARVIN P, REYHANI A, et al. Hydrogen storage in multi-walled carbon nanotubes decorated with palladium nanoparticles using laser ablation/chemical reduction methods［J］. Materials Research Express, 2017, 4(9): 095030.

[35] [35] GU J, ZHANG X P, FU L, et al. Study on the hydrogen storage properties of the dual active metals Ni and Al doped graphene composites［J］. International Journal of Hydrogen Energy, 2019, 44(12): 6036-6044.