biostudies-literatureYang K333 High-level Talents Project of Jiangsu ProvinceNSFCHong Kong Polytechnic UniversityNational Natural Science Foundation of ChinaResearch Grants Council, Hong Konge14126https://www.ebi.ac.uk/biostudies/studies/S-EPMC12697900biostudies-literatureUnknown12(46)The recent discovery of high-critical-temperature (high-T_c) superconductivity in hydrides such as H₃S and LaH₁₀ has significantly advanced the quest for room-temperature superconductors. This work reports a new class of high-T_c hydrides in the Li-Hf-H system characterized by unknown one-dimensional (1D) hydrogen chains. Through structure prediction methods and first-principles calculations, the thermodynamically stable compound LiHfH₂₀ is discovered, exhibiting a remarkable T_c of 222 K at 260 GPa. Notably, the distinct 1D hydrogen chains in LiHfH₂₀ facilitate strong coupling between high-frequency phonon modes and hydrogen-derived electronic states near the Fermi level, significantly enhancing superconductivity. EAdvanced science (Weinheim, Baden-Wurttemberg, Germany)One-Dimensional Hydrogen Chains in Li-Hf-H System: A Pathway to High Superconductivity Under High Pressure.PMC1269790012174160P0050570253015231207413815307124P0049524124740121207415412474155Li YYang KDing SGao KYang MCui WLai PZhou TYang TShi JfalseOne-Dimensional Hydrogen Chains in Li-Hf-H System: A Pathway to High Superconductivity Under High Pressure.The recent discovery of high-critical-temperature (high-T_c) superconductivity in hydrides such as H₃S and LaH₁₀ has significantly advanced the quest for room-temperature superconductors. This work reports a new class of high-T_c hydrides in the Li-Hf-H system characterized by unknown one-dimensional (1D) hydrogen chains. Through structure prediction methods and first-principles calculations, the thermodynamically stable compound LiHfH₂₀ is discovered, exhibiting a remarkable T_c of 222 K at 260 GPa. Notably, the distinct 1D hydrogen chains in LiHfH₂₀ facilitate strong coupling between high-frequency phonon modes and hydrogen-derived electronic states near the Fermi level, significantly enhancing superconductivity. E2025-01-01T00:00:00Z2025 Dec2026-06-06T01:19:23.089Z2026-05-24T03:12:32.59ZS-EPMC126979004117379510.1002/advs.202514126