A Unified Synthesis Framework for Zr_{0.75}Ca_{0.25}Li_2B_4H_{3.5}F_{0.2}O_{0.3} Across (Superconductivity, Solid-State Lithium Battery Electrolytes and Hydrogen Energy Storage)

Abstract The realization of near-ambient room-temperature superconductivity (RTSC) and next-generation energy storage is fundamentally bottlenecked by extreme physical pressure requirements and thermodynamic phase instabilities. This theoretical framework introduces the Qindra-Core design, an engineered complex doped borohydride formulated as Zr_{0.75}Ca_{0.25}Li_2B_4H_{3.5}F_{0.2}O_{0.3}. By utilizing heavy-cation (Zr^{4+}, Ca^{2+}) substitution to induce internal chemical pre-compression, the required external pressure for the stabilization of the high-symmetry covalent B-H metallic network is theorized to drop below 5 GPa. Furthermore, fractional electronegative doping (F, O) is utilized to tune the Fermi level, maximizing electron-phonon coupling (\lambda). To bypass the thermodynamic instability inherent in such highly energetic states, we propose a unified, solvent-free mechanochemical metathesis synthesis route governed by rapid-quench kinetic trapping. Depending on the final operating pressures, this single synthetic pipeline can be utilized to lock the lattice into specific metastable states for three distinct applications: a near-ambient RTSC (<5\text{ GPa}), a superionic solid-state battery electrolyte (ambient pressure), or a low-temperature solid-state hydrogen storage medium (1-10\text{ MPa}). A comprehensive computational roadmap for validation via Density Functional Theory (DFT) and Special Quasirandom Structures (SQS) is also provided.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-10-15
DOI
https://doi.org/10.5281/zenodo.23385500
Primary Topic
High-pressure geophysics and materials
Type
preprint
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preprint

A Unified Synthesis Framework for Zr_{0.75}Ca_{0.25}Li_2B_4H_{3.5}F_{0.2}O_{0.3} Across (Superconductivity, Solid-State Lithium Battery Electrolytes and Hydrogen Energy Storage)

Radhakrishnan Jayaraman
Zenodo (CERN European Organization for Nuclear Research)
High-pressure geophysics and materials
preprint

A Unified Synthesis Framework for Zr_{0.75}Ca_{0.25}Li_2B_4H_{3.5}F_{0.2}O_{0.3} Across (Superconductivity, Solid-State Lithium Battery Electrolytes and Hydrogen Energy Storage)

Radhakrishnan Jayaraman
preprint en

Abstract

Abstract The realization of near-ambient room-temperature superconductivity (RTSC) and next-generation energy storage is fundamentally bottlenecked by extreme physical pressure requirements and thermodynamic phase instabilities. This theoretical framework introduces the Qindra-Core design, an engineered complex doped borohydride formulated as Zr_{0.75}Ca_{0.25}Li_2B_4H_{3.5}F_{0.2}O_{0.3}. By utilizing heavy-cation (Zr^{4+}, Ca^{2+}) substitution to induce internal chemical pre-compression, the required external pressure for the stabilization of the high-symmetry covalent B-H metallic network is theorized to drop below 5 GPa. Furthermore, fractional electronegative doping (F, O) is utilized to tune the Fermi level, maximizing electron-phonon coupling (\lambda). To bypass the thermodynamic instability inherent in such highly energetic states, we propose a unified, solvent-free mechanochemical metathesis synthesis route governed by rapid-quench kinetic trapping. Depending on the final operating pressures, this single synthetic pipeline can be utilized to lock the lattice into specific metastable states for three distinct applications: a near-ambient RTSC (<5\text{ GPa}), a superionic solid-state battery electrolyte (ambient pressure), or a low-temperature solid-state hydrogen storage medium (1-10\text{ MPa}). A comprehensive computational roadmap for validation via Density Functional Theory (DFT) and Special Quasirandom Structures (SQS) is also provided.

Zenodo (CERN European Organization for Nuclear Research)
Affordable and clean energy
High-pressure geophysics and materials
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