Defect engineering improved the hydrogen storage capacity, electronic and optical properties of Li4BN3H10 hydride for hydrogen storage
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Hydrogen Storage and Materials · Inorganic Chemistry and Materials · Advancements in Battery Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (71)
Show source-provided references
1. Roles of kaolinite-oil-gas molecular interactions in hydrogen storage within depleted reservoirs10.1016/j.cej.2024.156452 ↗
2. Nanotubes and other nanostructures of VS2, WS2, and MoS2: structural effects on the hydrogen evolution reaction
3. Investigation of hydrogen diffusion mechanism and enhanced catalytic activity in monolayer β12-type borophene for hydrogen evolution reaction (HER)10.1016/j.cej.2025.168499 ↗
4. Quantile-on-quantile connectedness of uncertainty with fossil and green energy markets
5. Defect engineering of MoS2/borophene/WS2 sandwich heterostructures enhanced the HER catalytic activity and improved water splitting efficiency10.1039/D5TA06215B ↗
6. Investigation of structural, phonon, thermodynamic, electronic, and mechanical properties of non-toxic XZnH3(X=Li, Na, K) perovskites for solid-state hydrogen storage: A DFT and AIMD approac10.1016/j.est.2025.115492 ↗
7. An emerging 2D borophene nanomaterial: synthesis, properties and hydrogen energy applications10.1016/j.ccr.2025.217015 ↗
8. Coordinated environmental and hydrogen energy resilience: A chronological insight into dual functional photocatalysts10.1016/j.ccr.2025.216782 ↗
9. MOF-derived nanomaterials: transformative innovations for renewable energy and environmental sustainability10.1016/j.ccr.2025.217083 ↗
10. Ligand-free embedded magnesium nanoparticles in partially unzipped boron nitride for high-density hydrogen storage with fast kinetics10.1016/j.cej.2025.167499 ↗
11. Single atom enhanced the catalytic activity of borophene catalysts for hydrogen evolution reaction10.1016/j.ijhydene.2025.05.339 ↗
12. Sustainable energy storage solutions for coal-fired power plants: A comparative study on the integration of liquid air energy storage and hydrogen energy storage systems10.1016/j.enconman.2024.118473 ↗
13. Nanostructured metal hydrides for hydrogen storage10.1021/acs.chemrev.8b00313 ↗
14. Stabilizing γ-MgH2 at nanotwins in mechanically constrained nanoparticles10.1002/adma.202008259 ↗
15. Enhancing the dehydrogenation properties of LiAlH4 through the addition of ZrF4 for solid-state hydrogen storage
16. Renewable energy versus hydrogen energy: assessing current needs for sustainable energy solutions10.1021/acs.energyfuels.5c03207 ↗
17. A comprehensive review on metal hydrides-based hydrogen storage systems for mobile applications10.1016/j.est.2024.113934 ↗
18. Reinforce the dehydrogenation process of LiAlH4 by accumulating porous activated carbon10.1016/j.ijhydene.2023.01.080 ↗
19. Investigation of structure, dehydrogenated behavior, mechanical and physical properties of LiAlH4 hydrogen storage material10.1016/j.ijhydene.2025.05.053 ↗
20. Dehydrogenation and low-pressure hydrogenation properties of NaAlH4 confined in mesoporous carbon black for hydrogen storage10.1016/j.ijhydene.2023.01.358 ↗
21. X2AlH7(X: Ca, Sr, Ba) hydrides as next-generation hydrogen storage materials: A comprehensive first principles study on structural, mechanical, optical, electronic and thermophysical properties10.1016/j.est.2025.117400 ↗
22. First-principles study on the physical properties of double perovskites LiX3H8(X=Ni and Mn) for hydrogen storage10.1016/j.jpcs.2025.112867 ↗
23. Exploring the structure, hydrogen storage capacity and hydrogen storage mechanism of X3N3H6 hydrides for hydrogen storage
24. Hydrogen release from LiAlH4/FeCl2 and LiBH4/FeCl2 mixtures prepared in cryogenic conditions10.1016/j.ijhydene.2021.09.138 ↗
25. Optimization strategy in hydrogen storage performance of Ti-V-Cr-Mn alloys via LiAlH410.1002/smll.202309609 ↗
26. First-principles prediction of structural, electronic and optical properties of alkali metals AM4BN3H10 hydrides10.1016/j.ijhydene.2022.12.338 ↗
27. Investigation of structural, electronic and lattice dynamical properties of XNiH3(X=Li, Na and K) perovskite type hydrides and their hydrogen storage applications10.1016/j.ijhydene.2019.04.097 ↗
28. Phase transitions and lattice dynamics in perovskite-type hydride LixNa1-xMgH310.1088/1361-648X/ab3cfe ↗
29. Investigation of structural, hydrogen storage mechanism, electronic and optical properties of B10N2H18-type hydrides for hydrogen storage
30. Hydrogen desorption exceeding ten weight percent from the new quaternary hydride Li3BN2H810.1021/jp0455475 ↗
31. Improved hydrogen release from LiB0.33N0.67H2.67 with noble metal additions10.1021/jp0557767 ↗
32. Hydrogen desorption behavior of nickel-chloride-catalyzed stoichiometric Li4BN3H1010.1021/jp810208k ↗
33. Structures and crystal chemistry of Li2BNH6 and Li4BN3H1010.1021/cm703315e ↗
34. Exploring the structural, physical properties and hydrogen storage properties of LiBHx(x=1 and 4) lithium borohydrides10.1016/j.ceramint.2023.11.140 ↗
35. Hydrogen storage properties of LiBH410.1016/S0925-8388(02)01253-7 ↗
36. Crystal structure analysis of novel complex hydrides formed by the combination of LiBH4 and LiNH210.1007/s00339-006-3500-9 ↗
37. First-principles study of point defects under varied chemical potentials in Li4BN3H1010.1103/PhysRevB.85.174102 ↗
38. First-principles study on the dehydrogenation of Li4BN3H10 modified by Co10.1016/j.ijhydene.2021.01.040 ↗
39. Reaction energetics and crystal structure of Li4BN3H10 from first principles10.1103/PhysRevB.75.014101 ↗
40. Improving the hydrogen reaction kinetics of complex hydrides10.1002/adma.200803323 ↗
41. Tailoring the hydrogen storage properties of Li4BN3H10 by confinement into highly ordered nanoporous carbon10.1039/c3ta00174a ↗
42. Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study10.1103/PhysRevB.80.214109 ↗
43. On the composition and crystal structure of the new quaternary hydride phase Li4BN3H1010.1021/ic0518226 ↗
44. First-principles simulation: ideas, illustrations and the CASTEP code10.1088/0953-8984/14/11/301 ↗
45. Ground State of the electron gas by a stochastic method10.1103/PhysRevLett.45.566 ↗
46. Accurate and simple analytic representation of the electron-gas correlation energy10.1103/PhysRevB.45.13244 ↗
47. Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids10.1103/PhysRevB.81.115126 ↗
48. First-principles investigation of phonon dynamics and electrochemical performance of TiO2-x oxides lithium-ion batteries10.1016/j.ijhydene.2019.12.211 ↗
49. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
50. Predicting hydrogen storage, mechanical, thermodynamic, and electronic characteristics of perovskite hydrides NaBH3(B=Cu, Zn, Cd): A first-principles study10.1016/j.ijhydene.2025.150780 ↗
51. Revealing the structural, catalytic properties and dehydrogenated behavior of Nb2C MXene for hydrogen evolution reaction (HER)
52. Enhancing hydrogen storage properties of titanium hydride TiH2 with vacancy defects and uniaxial strain: A first-principles study10.1016/j.ijhydene.2024.09.065 ↗
53. Theoretical prediction of novel phase, phonon dynamics and physical properties of KAlH4 hydride for hydrogen storage10.1016/j.ijhydene.2025.04.422 ↗
54. Phonons and related crystal properties from density-functional perturbation theory10.1103/RevModPhys.73.515 ↗
55. Exploring the structural, mechanical and thermodynamic properties of layered Ta3AlC2-type MAX ceramics for ultrahigh-temperature applications
56. Insights into the physical properties of NaGeH3 perovskite hydride for hydrogen storage applications: A first-principles study10.1016/j.jpcs.2025.113089 ↗
57. Exploring the hydrogen storage capacity, dehydrogenated mechanism, electronic and optical properties of AMMgH3 hydrides for hydrogen storage10.1016/j.est.2025.116869 ↗
58. Magnesium based materials for hydrogen based energy storage: past, present and future10.1016/j.ijhydene.2018.12.212 ↗
59. New insight into the structural, hydrogen storage capacity, dehydrogenated mechanism and physical properties of Alkali metal AMAlH4 hydrides
60. Densified HKUST-1 monoliths as a route to high volumetric and gravimetric hydrogen storage capacity10.1021/jacs.2c04608 ↗
61. Comprehensive improvement of AB2 hydrogen storage alloy: substitution of rare earth elements for different A-side alloys10.1016/j.cej.2024.153489 ↗
62. Exploring the structural, hydrogen storage capacity, electronic and optical properties of H-rich AlHx(x=4, 5 and 6) hydrogen storage materials: A first-principles study10.1016/j.ijhydene.2024.08.106 ↗
63. Triaxial strain effects on hydrogen storage capacity of KMgH3: A computational study10.1016/j.inoche.2024.112974 ↗
64. Excellent kinetics and effective hydrogen storage capacity at low temperature of superlattice rare-earth hydrogen storage alloy by solid-phase treatment10.1016/j.jpcs.2021.110402 ↗
65. First principles investigation of structural, elastic, thermoelectric, electronic and optical properties XH3 (X=Ac, La) for hydrogen storage10.1016/j.ijhydene.2024.10.259 ↗
66. Janus Monolayer MXY(M=Mo, W; X, Y=S, Se and Te)/β-Ga2O3 Van Der waals heterojunctions with type I/II: A self powered UV to IR Broad spectrum photodetector
67. Structural, electronic, and optical properties of inorganic and hybrid fullerene networks10.1016/j.cplett.2024.141839 ↗
68. Influence of intrinsic defects on the structural, electronic and optical properties of 2D- β-Ga2O3 with varying surfaces
69. Comprehensive DFT analysis of structural, mechanical, electronic, optical, and hydrogen storage properties of novel perovskite-type hydrides Y₂CoH₆ (Ydouble bondCa, Ba, Mg, Sr)10.1016/j.est.2025.116146 ↗
70. Tunability of the electronic and optical properties of β-Ga2O3 for third-generation semiconductor application10.1021/acs.jpcc.5c05904 ↗
71. A computational insight of LiTH3(T=Y, Zr) perovskite-type hydrides for hydrogen storage application10.1016/j.ijhydene.2025.02.210 ↗