Direct H-He chemical association in superionic FeO_(2)H_(2)He at deep-Earth conditions  

作　　者：Jurong Zhang Hanyu Liu Yanming Ma Changfeng Chen 

机构地区：[1]International Center for Computational Method and Software&State Key Laboratory of Superhard Materials&Key Laboratory of Physics and Technology for Advanced Batteries(Ministry of Education),College of Physics,Jilin University,Changchun 130012,China [2]Shandong Provincial Engineering and Technical Center of Light Manipulations&Shandong Provincial Key Laboratory of Optics and Photonic Device,School of Physics and Electronics,Shandong Normal University,Jinan 250358,China [3]International Center of Future Science,Jilin University,Changchun 130012,China [4]Department of Physics and Astronomy,University of Nevada,Las Vegas,NV 89154,USA

出　　处：《National Science Review》2022年第7期56-63,共8页国家科学评论（英文版）

基　　金：the National Natural Science Foundation of China(52090024,12074138,11874175 and 11874176);the Fundamental Research Funds for the Central Universities(Jilin University,JLU);the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT).

摘　　要：Hydrogen and helium are known to play crucial roles in geological and astrophysical environments;however,they are inert toward each other across wide pressure-temperature(P-T)conditions.Given their prominent presence and influence on the formation and evolution of celestial bodies,it is of fundamental interest to explore the nature of interactions between hydrogen and helium.Using an advanced crystal structure search method,we have identified a quaternary compound FeO_(2)H_(2)He stabilized in a wide range of P-T conditions.Ab initio molecular dynamics simulations further reveal a novel superionic state of FeO_(2)H_(2)He hosting liquid-like diffusive hydrogen in the FeO_(2)He sublattice,creating a conducive environment for H-He chemical association,at P-T conditions corresponding to the Earth’s lowest mantle regions.To our surprise,this chemically facilitated coalescence of otherwise immiscible molecular species highlights a promising avenue for exploring this long-sought but hitherto unattainable state of matter.This finding raises strong prospects for exotic H-He mixtures inside Earth and possibly also in other astronomical bodies.

关 键 词：high pressure crystal structures molecular dynamics hydrogen-helium chemistry 

分 类 号：TQ138.11[化学工程—无机化工]