Efficient hydrogen storage through thermodynamic and kinetic optimization of MgH2 (110) using Nb2O5 and V2O5 catalysts
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OpenAlex topics: Hydrogen Storage and Materials · Hybrid Renewable Energy Systems · Metalloenzymes and iron-sulfur proteins
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References (85)
Show source-provided references
1. Advancements in hydrogen storage technologies: enhancing efficiency, safety, and economic viability for sustainable energy transition10.1016/j.ijhydene.2025.01.176 ↗
2. Hydrogen as a clean energy carrier: advancements, challenges, and its role in a sustainable energy future10.1093/ce/zkae112 ↗
3. Review of hydrogen storage technologies and the crucial role of environmentally friendly carriers10.1021/acs.energyfuels.4c01781 ↗
4. Green hydrogen pathways for a net-zero future: technologies, circular economy integration, life-cycle performance and safety dimensions10.1039/D5RA09599A ↗
5. Hydrogen storage technology, and its challenges: a review
6. Advancements in catalytic technologies for chemical hydrogen storage: materials, mechanisms, and future prospects
7. Hydrogen: Challenges and Opportunities for Storage and Transportation in the Clean Energy Economy10.1002/tcr.202500218 ↗
8. Future trends and emerging technologies in hydrogen energy
9. Theoretical approach to study hydrogen storage properties of MgH2 nanoclusters: crucial role of hydrogen kinetics10.1016/j.ijhydene.2025.152960 ↗
10. Fe-based catalysts in MgH2 hydrogen storage: mechanistic insights, stability challenges, and a roadmap for scalable design
11. A scalable strategy for enhancing MgH2 hydrogen storage: pre-hydrogenation and catalyst integration
12. NLi4-functionalization of Arsenic phosphorus monolayer for efficient hydrogen storage: insights from a theoretical approach10.1002/est2.70359 ↗
13. Enhancement of the hydrogen storage performance of MgH2 using CeO2@C with oxygen vacancy-rich from Ce-MOF pyrolysis10.1016/j.jallcom.2026.186315 ↗
14. Integrated computational-experimental study of novel graphene-Bi2S3-MgH2 composite systems for hydrogen storage at moderate temperatures10.1016/j.apsusc.2026.166527 ↗
15. Recent advances in nanostructure modification to enhance hydrogen storage performance of magnesium-based alloys
16. Development and Challenges of Mg-Based Hydrides for Hydrogen Storage Near-Room Temperature
17. A Review on Magnesium Based Metal Hydrides for Thermal Energy Storage Systems, Asia-Pacific
18. Balancing Nanostructuring and Stability: How Ball-Milling Energy and Graphite Addition Control Hydrogen Storage and Air Resistance in MgH210.1021/acs.energyfuels.5c06444 ↗
19. Spatially Programmed Confinement Catalysis Enables High-Performance Magnesium Hydrogen Storage10.1021/acs.nanolett.5c04450 ↗
20. Tailoring Hydrogen Storage Materials Kinetics and Thermodynamics Through Nanostructuring, and Nanoconfinement With In-Situ Catalysis
21. Li/Mg-Based Hydrides for High-Capacity Hydrogen and Lithium Storage Applications10.1002/adfm.202425155 ↗
22. Boosting hydrogen storage performance of MgH2 by efficient V2O3/C catalyst10.1016/j.jallcom.2024.178333 ↗
23. Effects of Ti- and Nb-based transition element from single to multiple compound oxides and carbon-based composite additives on Mg-MgH2 hydrogen storage material
24. Enhanced hydrogen storage performance of MgH2 with NiMnAl and Ti-based alloy catalysts: a comparative study10.1007/s12666-026-03806-z ↗
25. Enhanced hydrogen storage kinetics of magnesium hydride enabled by graphene-supported Pd–Ni bimetallic nanocatalysts
26. Reactive ball milling-induced improvement in hydrogen storage performance of Mg-Co alloys10.1016/j.jallcom.2025.182230 ↗
27. Effect of Ni doping on hydrogen storage kinetics and thermodynamic properties of ball-milled Nd-Mg alloy10.1016/j.jallcom.2025.178490 ↗
28. Strain engineering of substitutionally doped MgH2 as a hydrogen storage medium: Thermodynamic and diffusion kinetics investigation10.1016/j.ijhydene.2025.06.164 ↗
29. Realizing 6.7 wt% reversible storage of hydrogen at ambient temperature with non-confined ultrafine magnesium hydrides10.1039/D0EE03160G ↗
30. Regulating the hydrogen storage in 2LiBH4 + MgH2 composite by V4C3 MXene10.1016/j.jallcom.2026.187184 ↗
31. Superior catalytic activity derived from a two-dimensional Ti3C2 precursor towards the hydrogen storage reaction of magnesium hydride10.1039/C5CC08801A ↗
32. Fast hydrogen sorption kinetics of nanocrystalline Mg using Nb2O5 as catalyst10.1016/S1359-6462(03)00259-8 ↗
33. Effect of Nb2O5 content on hydrogen reaction kinetics of Mg10.1016/S0925-8388(03)00530-9 ↗
34. Catalytic effects of metal oxide on hydrogen absorption of magnesium metal hydride10.1016/j.jallcom.2005.09.085 ↗
35. Hydrogen Storage Behavior and Performance of Multiple Cold-Rolled MgH2/Nb2O5 Nanocomposite Powders10.3390/pr10051017 ↗
36. Catalytic Effect of Nb2O5 in MgH2-Nb2O5 Ball-Milled Composites10.3390/catal2030344 ↗
37. Nb2O5 Nanostructures as Precursors of Cycling Catalysts for Hydrogen Storage in MgH210.1021/acsanm.3c02685 ↗
38. Synthesis process and catalytic activity of Nb2O5 hollow spheres for reversible hydrogen storage of MgH210.1002/er.6006 ↗
39. Hydrogen Storage in Magnesium Hydride at Room Temperature Enabled by Graphene-Stabilized Multivalent Niobium Oxides
40. Mechanism and kinetics of early transition metal hydrides, oxides, and chlorides to enhance hydrogen release and uptake properties of MgH210.1017/S0885715615000056 ↗
41. Boosting hydrogen storage performance of MgH2 by oxygen vacancy-rich H-V2O5 nanosheet as an excited H-Pump10.1007/s40820-024-01375-8 ↗
42. Electronic Structure Modulation of Nb2O5 by Ru Single Atoms Enabling Efficient Hydrogen Storage of Magnesium Hydrides10.1002/anie.202511139 ↗
43. Enhancing dehydrogenation kinetics of MgH2 through doping with the Nb2O5-C/Ti3C2Tx catalyst synthesized by fast Joule heating
44. MXene-supported V2O5 nanocatalysts: Boosting hydrogen storage efficiency in MgH2 through synergistic catalysis10.1016/j.est.2025.117474 ↗
45. Computational Investigation of MgH2/NbOx for Hydrogen Storage10.1021/acs.jpcc.1c01554 ↗
46. The catalytic effect of Nb, NbO and Nb2O5 with different surface planes on dehydrogenation in MgH2: Density functional theory study10.1016/j.jallcom.2013.02.044 ↗
47. The role of V2O5 on the dehydrogenation and hydrogenation in magnesium hydride: An ab initio study10.1063/1.2916828 ↗
48. QUANTUM ESPRESSO: a modular and open-source software project for quantumsimulations of materials10.1088/0953-8984/21/39/395502 ↗
49. Self-Consistent Equations Including Exchange and Correlation Effects10.1103/PhysRev.140.A1133 ↗
50. Generalized Gradient Approximation Made Simple10.1103/PhysRevLett.77.3865 ↗
51. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism10.1103/PhysRevB.41.7892 ↗
52. Special points for Brillouin-zone integrations”—a reply10.1103/PhysRevB.16.1748 ↗
53. A generalized solid-state nudged elastic band method10.1063/1.3684549 ↗
54. A fast and robust algorithm for Bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗
55. Computational investigation of NLi4-cluster decorated phosphorene for reversible hydrogen storage10.1016/j.ijhydene.2024.05.325 ↗
56. P.E. Blöchl, Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations10.1021/j100135a014 ↗
57. The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds10.3390/cryst8050225 ↗
58. VESTA3 for three-dimensional visualization of crystal
59. XcrySDen-a new program for displaying crystalline structures and electron densities10.1016/S1093-3263(99)00028-5 ↗
60. Energetics and electronic properties of Mg{sub 7}TMH{sub 16} (TM=Sc, Ti, V, Y, Zr, Nb): An ab initio study10.1016/j.physb.2009.04.013 ↗
61. Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage10.1103/PhysRevB.77.085405 ↗
62. Identification of Destabilized Metal Hydrides for Hydrogen Storage Using First Principles Calculations10.1021/jp060482m ↗
63. Structure of the high pressure phase γ-MgH2 by neutron powder diffraction10.1016/S0925-8388(99)00028-6 ↗
64. Effects of Li doping on the dehydrogenation properties of MgH2(110) surface: Insights from first-principles Calculations10.1016/j.ijhydene.2024.12.186 ↗
65. First-principles study of Pd single-atom catalysis to hydrogen desorption reactions on MgH2(110) surface10.1063/1674-0068/cjcp1809209 ↗
66. Hydrogen absorption–desorption characteristics, kinetics of hydrogen absorption and thermodynamics of dissolved hydrogen in Zr0.1Tb0.9Fe1.5Co1.510.1016/S0925-8388(99)00786-0 ↗
67. Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations10.1103/PhysRevB.77.104103 ↗
68. Z.X. Guo, Mechanical alloying and electronic simulations of (MgH2+M) systems (M=Al, Ti, Fe, Ni, Cu and Nb) for hydrogen storage10.1016/S0360-3199(03)00045-4 ↗
69. Ni/V-MgnHm nanoclusters: Recent advances toward improving the dehydrogenation thermodynamics for efficient hydrogen storage10.1016/j.ijhydene.2024.09.300 ↗
70. Enhanced hydrogenation properties of two-dimensional MgH2 by doping, vacancy-like defects and strain engineering: A theoretical study10.1016/j.ijhydene.2024.10.357 ↗
71. Electronic and structural properties of of MgH210.1103/PhysRevB.37.8730 ↗
72. Study of the hydride forming process of in-situ grown MgH2 thin films by activated reactive evaporation10.1016/j.tsf.2007.12.163 ↗
73. The hydrogen ab/desorption kinetic properties of doped magnesium hydride MgH2 systems by first principles calculations and kinetic Monte Carlo simulations10.1016/j.ijhydene.2015.02.137 ↗
74. Charge Density Analysis in Magnesium Hydride, R&D Review of Toyota
75. Formation and growth mechanism for niobium oxide nanoparticles: atomistic insight from in situ X-ray total scattering10.1039/D0NR08299F ↗
76. Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study10.1103/PhysRevB.59.10583 ↗
77. Remarkable hydrogen storage properties of MgH2 doped with VNbO510.1039/C7CP07157D ↗
78. Microscopic study on hydrogenation mechanism of MgH2 catalyzed by Nb2O510.2320/matertrans.MG201417 ↗
79. Design of bifunctional Nb/V interfaces for improving reversible hydrogen storage performance of MgH210.1002/sstr.202270030 ↗
80. Room temperature hydrogen absorption of V2O5 catalyzed MgH2/Mg10.6023/A21120561 ↗
81. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points10.1063/1.1323224 ↗
82. Electromagnetism (Manchester Physics Series)
83. Understanding the dehydrogenation properties of Mg(0001)/MgH2(110) interface from first principles
84. Empowering hydrogen storage performance of MgH2 by nanoengineering and nanocatalysis
85. The development of the Arrhenius equation10.1021/ed061p494 ↗