Prediction of Near-Room-Temperature Superconductivity at 285 K in Ni0.93Cu0.07H5.0 at 140 GPa

ABSTRACT (Version 11.0): Near-Room-Temperature Superconductivity at 285 K in Ni0.93Cu0.07H5.0 at 140 GPa We report the theoretical prediction of Tc = 285 ± 10 K in copper-doped nickel hydride Ni0.93Cu0.07H5.0 compressed to 140 GPa—the first material predicted to exhibit zero electrical resistance above water’s freezing point (273 K). This prediction emerges from the systematic application of three phenomenological scaling laws, independently validated across 5,779 experimentally confirmed superconductors ($R^2$ = 0.960–0.993). Comprehensive Density Functional Perturbation Theory (DFPT) calculations corroborate all predictions: the structure exhibits dynamical stability, exceptionally strong electron-phonon coupling ($\lambda$ = 3.19 ± 0.08), and a high logarithmic-averaged phonon frequency ($\omega_{log}$ = 1548 ± 18 K). The Allen-Dynes formula yields Tc = 285 ± 10 K, establishing perfect quantitative agreement with the phenomenological framework. The predicted critical temperature exceeds the current hydride record (LaH10, 250 K) by 35 K while requiring 30 GPa less pressure, rendering synthesis more experimentally tractable. This Zenodo record contains the complete computational data (DFT/DFPT inputs/outputs, EPW calculations, analysis scripts, and validation database) and the latest version (V11.0) of the manuscript submitted for editorial review. All data is provided for full reproducibility.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-11-26
DOI
https://doi.org/10.5281/zenodo.17724509
Primary Topic
Hydrogen Storage and Materials
Type
article
Field-Weighted Citation Impact
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article

Prediction of Near-Room-Temperature Superconductivity at 285 K in Ni0.93Cu0.07H5.0 at 140 GPa

Zenodo (CERN European Organization for Nuclear Research)
Hydrogen Storage and Materials
article

Prediction of Near-Room-Temperature Superconductivity at 285 K in Ni0.93Cu0.07H5.0 at 140 GPa

article en

Abstract

ABSTRACT (Version 11.0): Near-Room-Temperature Superconductivity at 285 K in Ni0.93Cu0.07H5.0 at 140 GPa We report the theoretical prediction of Tc = 285 ± 10 K in copper-doped nickel hydride Ni0.93Cu0.07H5.0 compressed to 140 GPa—the first material predicted to exhibit zero electrical resistance above water’s freezing point (273 K). This prediction emerges from the systematic application of three phenomenological scaling laws, independently validated across 5,779 experimentally confirmed superconductors ($R^2$ = 0.960–0.993). Comprehensive Density Functional Perturbation Theory (DFPT) calculations corroborate all predictions: the structure exhibits dynamical stability, exceptionally strong electron-phonon coupling ($\lambda$ = 3.19 ± 0.08), and a high logarithmic-averaged phonon frequency ($\omega_{log}$ = 1548 ± 18 K). The Allen-Dynes formula yields Tc = 285 ± 10 K, establishing perfect quantitative agreement with the phenomenological framework. The predicted critical temperature exceeds the current hydride record (LaH10, 250 K) by 35 K while requiring 30 GPa less pressure, rendering synthesis more experimentally tractable. This Zenodo record contains the complete computational data (DFT/DFPT inputs/outputs, EPW calculations, analysis scripts, and validation database) and the latest version (V11.0) of the manuscript submitted for editorial review. All data is provided for full reproducibility.

Zenodo (CERN European Organization for Nuclear Research)
Fundação de Apoio a Pesquisa do Estado de Goiás (BR)
Openalex Percentile: Top 56%
Hydrogen Storage and Materials
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