Copertina

First-Principles Investigation of X2NiH6 (X = Ca, Sr, Ba) Hydrides for Hydrogen Storage Applications

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Aafi, K., Fatouaki, Z. El, Jabar, A., Tahiri, A., Idiri, M.
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Materials Science Computational Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Novel A2CrH6 (A = Ca, Sr, Ba) hydrides explored by first-principles calculations for hydrogen storage applications
di: Fatouaki, Zakaria El, et al.
Pubblicazione: (2025)

A First‐Principles Study of Manganese‐Based Perovskite‐Type Hydrides for Hydrogen Storage Application
di: Youssef Didi, et al.
Pubblicazione: (2024)

DFT‐Based Ab Initio Calculations of Structural, Electronic, Mechanical, and Optical Properties of Ga‐based Fluoroperovskite GaXF 3 (X = Ca and Sr)
di: Toufik Karafi, et al.
Pubblicazione: (2025)

Study of Physical Characteristics of the New Half-Heusler Alloy BaHgSn by DFT Analysis
di: Jabar, A., et al.
Pubblicazione: (2024)

Hydrogen Storage Potential of Chromium-Functionalized Graphene: A First-Principles Investigation
di: Tripathy, Pratyasha, et al.
Pubblicazione: (2025)

Li‐Based Perovskite X LiH 3 ( X = Ti, V, Cr, or Mn) Hydrides for Hydrogen Storage Applications: A First‐Principles Study
di: Jahid Kabir Rony, et al.
Pubblicazione: (2026)

Li/Mg‐Based Hydrides for High‐Capacity Hydrogen and Lithium Storage Applications
di: Panyu Gao, et al.
Pubblicazione: (2025)

Unlocking the Optoelectronic Potential of AGeX$_{3}$ (A = Ca, Sr, Ba; X = S, Se): A Sustainable Alternative in Chalcogenide Perovskites
di: Chakravorty, Ayan, et al.
Pubblicazione: (2025)

Topological electron and phonon flat bands in novel kagome superconductor XPd5 (X=Ca, Sr, Ba)
di: Ye, Jiefeng, et al.
Pubblicazione: (2025)

Theoretical Insights into Inorganic Antiperovskite Nitrides (X$_3$NA; X = Mg, Sr, Ca, Ba; A = Sb, As): An Emerging Class of Materials for Photovoltaics
di: Monga, Sanchi, et al.
Pubblicazione: (2024)

Exploring the Physical Properties, Hydrogen Storage Capacity and Thermal Barrier Performance of LaMg2H7: A First-Principles Investigation
di: Khan, Tanvir, et al.
Pubblicazione: (2025)

Hydrogen Storage Potential of XLiH 3 (X = Al, Ga, In, and Tl) Perovskite Hydrides for Clean Energy Applications: A First‐Principles Study
di: Istiak Ahmed Ovi, et al.
Pubblicazione: (2026)

Investigation of the Pressure Dependent Physical Properties of MAX Phase Ti2AlX (X = B, C, and N) Compounds: A First-Principles Study
di: Naher, M. I., et al.
Pubblicazione: (2024)

Physically Interpretable Descriptors Drive the Materials Design of Metal Hydrides for Hydrogen Storage
di: Jang, Seong-Hoon, et al.
Pubblicazione: (2025)

First-Principles Investigation of Mechanical, Lattice Dynamical, and Thermodynamic Properties of BaTiO3 Polymorphs
di: Chakraborty, Arpon, et al.
Pubblicazione: (2025)

TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage
di: Laranjeira, José A. S., et al.
Pubblicazione: (2025)

Spin-orbit-lattice entangled state in A$_2$MgReO$_6$ (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering
di: Frontini, Felix I., et al.
Pubblicazione: (2023)

Physical Properties of the Sodium-Based Cubic Fluoro-Perovskites: NaBF$_3$ (B= Ca, Mg or Zn): DFT and TDDFT Studies
di: Idrissi, S., et al.
Pubblicazione: (2024)

Designing new Zintl phases SrBaX (X = Si, Ge, Sn) for thermoelectric applications using \textit{ab initio} techniques
di: Gusain, Vivek, et al.
Pubblicazione: (2025)

A First-Principles Investigation of Goldene for Enhanced Hydrogen Evolution Reaction
di: Amaram, Ashutosh Krishna, et al.
Pubblicazione: (2025)

The Critical Metallization of Hydrogen in Pressurized LaBeH8 Hydride
di: Zhang, Zihan, et al.
Pubblicazione: (2024)

A Computational Study of Metal Hydrides Based on Rubidium for Developing Solid‐State Hydrogen Storage
di: Youssef Didi, et al.
Pubblicazione: (2024)

Hydrogen Storage in Magnesium Hydride at Room Temperature Enabled by Graphene‐Stabilized Multivalent Niobium Oxides
di: Chaoqun Li, et al.
Pubblicazione: (2025)

Magnetic and Magnetocaloric Properties of a C$_{20}$ Fullerene Structure: Monte Carlo Study
di: Jabar, A., et al.
Pubblicazione: (2024)

DFT‐Based Investigation of Physical Properties for Multifunctional Potential and Hydrogen Storage Application of Lithium‐Based Triel LiX 3 H 8 (X = B, Al, Ga, In) Hydrides
di: Nawishta Jabeen, et al.
Pubblicazione: (2026)

First-Principles Investigation of Sr2PrSbO6 Double Perovskite: An Emerging Aspirant for Electrocatalysis, Plasmonic, Photonics, Thermoelectric and Solar Cell Applications
di: Mohiuddin, Md., et al.
Pubblicazione: (2025)

Coexistence of Topological Dirac and Dirac Nodal line semimetal in SrCaP belonging to Nodal line semimetal family SrCaX(X= Bi, Sb, As, P)
di: Gupta, Shivendra Kumar, et al.
Pubblicazione: (2024)

Topological Phase Transition in Layered XIn$_2$P$_2$ (X = Ca, Sr)
di: Wang, Zhenwei, et al.
Pubblicazione: (2017)

First-Principles Study Lead-Free Halide Double Perovskite Cs2RhAgX6 and Cs2IrAgX6 (X = Cl, Br and I)
di: Kuai, Yue, et al.
Pubblicazione: (2024)

First-Principles Investigation of Grain Boundary Effects on Fluorine-Induced Initial Corrosion of NiCr Alloys
di: Arkoub, Hamdy, et al.
Pubblicazione: (2024)

Possibility of ferro-octupolar order in Ba$_2$CaOsO$_6$ assessed by X-ray magnetic dichroism measurements
di: Shibata, Goro, et al.
Pubblicazione: (2025)

Scaling of the Electrical Conductivity Spectra Reveals Distinct Transport Responses in A2SmTaO6 [A = Ba, Sr, Ca]
di: Halder, Saswata, et al.
Pubblicazione: (2025)

DFT Study of Physical Properties for A 2 H 3 X (A = Sr, Ba; X = Cl, Br) Compounds: Their Possible Applications for Hydrogen Storage and Optoelectronic Devices
di: Ali Yaqoob, et al.
Pubblicazione: (2025)

Study of the structural and electronic properties of the Heusler Co2FeGe alloy by DFT approach
di: Jamraoui, A., et al.
Pubblicazione: (2025)

A Hybrid Machine Learning Framework for Predicting Hydrogen Storage Capacities in Metal Hydrides: Unsupervised Feature Learning with Deep Neural Networks
di: Bhattacharjee, Satadeep, et al.
Pubblicazione: (2024)

Enhanced Energy‐Storage Density and Resistive Switching Behavior in Lead‐Free Ba 0.7 Sr 0.3 TiO 3 /Ba 0.6 Sr 0.4 TiO 3 Multilayer Thin Films
di: Kaushiga Chandrasekaran, et al.
Pubblicazione: (2025)

Balancing Thermodynamics, Kinetics, and Reversibility in Ti-Doped MgB2H8: A First-Principles Assessment of a Practical Solid-State Hydrogen Storage Material
di: Azam, Sikander, et al.
Pubblicazione: (2026)

Revealing the Multifunctionality of Quaternary Oxyfluorides ( X ScO 2 F, X = Ba, Sr, Ca, and Ra) Through First‐Principles for Future‐Ready Flexible Photovoltaics
di: Nawishta Jabeen, et al.
Pubblicazione: (2026)

Tunable Valley Polarization and Anomalous Hall Effect in Ferrovalley NbX2 and TaX2 (X = S, Se, Te): A First-Principles Study
di: Islam, Samiul, et al.
Pubblicazione: (2025)

Superhydrides on the way to ambient pressure: weak localization and persistent X-ray photoconductivity in BaSiH$_{8}$
di: Semenok, Dmitrii V., et al.
Pubblicazione: (2026)