A stable compound of helium and sodium at high pressure

doi:10.1038/nchem.2716

Title: A stable compound of helium and sodium at high pressure

Full Record
Other Related Research

Abstract

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na ₂He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na ₈ cubes. We also predict the existence of Na ₂HeO with a similar structure at pressures above 15 GPa.

Authors:

Dong, Xiao;

; Goncharov, Alexander F.; Stavrou, Elissaios; Lobanov, Sergey; Saleh, Gabriele; Qian, Guang-Rui; Zhu, Qiang; Gatti, Carlo; Deringer, Volker L.; Dronskowski, Richard;

; Prakapenka, Vitali B.; Konôpková, Zuzana;

; Boldyrev, Alexander I.; Wang, Hui-Tian

Publication Date:: Mon Feb 06 00:00:00 EST 2017

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Org.:: National Science Foundation (NSF); Defense Advanced Research Projects Agency (DARPA)

OSTI Identifier:: 1355028

Resource Type:: Journal Article

Resource Relation:: Journal Name: Nature Chemistry; Journal Volume: 9; Journal Issue: 5

Country of Publication:: United States

Language:: ENGLISH

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; chemical physics; electron transfer; solid-state chemistry

Citation Formats


                    Dong, Xiao, Oganov, Artem R., Goncharov, Alexander F., Stavrou, Elissaios, Lobanov, Sergey, Saleh, Gabriele, Qian, Guang-Rui, Zhu, Qiang, Gatti, Carlo, Deringer, Volker L., Dronskowski, Richard, Zhou, Xiang-Feng, Prakapenka, Vitali B., Konôpková, Zuzana, Popov, Ivan A., Boldyrev, Alexander I., and Wang, Hui-Tian. A stable compound of helium and sodium at high pressure.  United States: N. p., 2017. 
        Web.  doi:10.1038/nchem.2716.

Copy to clipboard


                    Dong, Xiao, Oganov, Artem R., Goncharov, Alexander F., Stavrou, Elissaios, Lobanov, Sergey, Saleh, Gabriele, Qian, Guang-Rui, Zhu, Qiang, Gatti, Carlo, Deringer, Volker L., Dronskowski, Richard, Zhou, Xiang-Feng, Prakapenka, Vitali B., Konôpková, Zuzana, Popov, Ivan A., Boldyrev, Alexander I., & Wang, Hui-Tian. A stable compound of helium and sodium at high pressure.  United States.  doi:10.1038/nchem.2716.

Copy to clipboard


                    Dong, Xiao, Oganov, Artem R., Goncharov, Alexander F., Stavrou, Elissaios, Lobanov, Sergey, Saleh, Gabriele, Qian, Guang-Rui, Zhu, Qiang, Gatti, Carlo, Deringer, Volker L., Dronskowski, Richard, Zhou, Xiang-Feng, Prakapenka, Vitali B., Konôpková, Zuzana, Popov, Ivan A., Boldyrev, Alexander I., and Wang, Hui-Tian. Mon .  
        "A stable compound of helium and sodium at high pressure".  United States.  
        doi:10.1038/nchem.2716.

Copy to clipboard


                    
@article{osti_1355028,

  title        = {A stable compound of helium and sodium at high pressure},

  author       = {Dong, Xiao and Oganov, Artem R. and Goncharov, Alexander F. and Stavrou, Elissaios and Lobanov, Sergey and Saleh, Gabriele and Qian, Guang-Rui and Zhu, Qiang and Gatti, Carlo and Deringer, Volker L. and Dronskowski, Richard and Zhou, Xiang-Feng and Prakapenka, Vitali B. and Konôpková, Zuzana and Popov, Ivan A. and Boldyrev, Alexander I. and Wang, Hui-Tian},

  abstractNote = {Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.},

  doi          = {10.1038/nchem.2716},

  journal      = {Nature Chemistry},

  number       = 5,

  volume       = 9,

  place        = {United States},

  year         = {Mon Feb 06 00:00:00 EST 2017},

  month        = {Mon Feb 06 00:00:00 EST 2017}

}

Copy to clipboard

Journal Article:

DOI: 10.1038/nchem.2716

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

A stable compound of helium and sodium at high pressure

Journal Article Dong, Xiao ; Oganov, Artem R. ; Goncharov, Alexander F. ; ... - Nature Chemistry

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na ₂He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes thismore »« less
Cited by 34
DOI: 10.1038/nchem.2716

Full Text Available
High-pressure sodium: an alternative to low-pressure sodium for roadway lighting

Journal Article Alexander, W.W. - Electr. Forum; (United States)

The energy-saving advantages of high-pressure sodium (HPS) systems for roadway lighting are discussed in the context of the popularity of low-pressure (LPS) in Europe and its specification for major lighting and relighting projects in the U.S. A comparison of LPS and HPS lamps notes the larger lamp size and the diminishing lumens per watt of LPS lamps with time and their lower coefficient of utilization. HPS lamps are compact, with more efficiency, better color rendition, and a good maintenance of light output. More useful light actually falls on the roadway with the HPS lamps. Europe, which adopted LPS lamps aftermore »« less
High Magnetic Shear Gain in a Liquid Sodium Stable Couette Flow Experiment: A Prelude to an $α - Ω$ Dynamo

Journal Article Colgate, S. A. ; Beckley, H. ; Si, J. ; ... - Physical Review Letters

The Ω phase of the liquid sodium α-Ω dynamo experiment at New Mexico Institute of Mining and Technology in cooperation with Los Alamos National Laboratory has demonstrated a high toroidal field B _Φ that is ≃8×B _r, where B _r is the radial component of an applied poloidal magnetic field. This enhanced toroidal field is produced by the rotational shear in stable Couette flow within liquid sodium at a magnetic Reynolds number Rm≃120. Small turbulence in stable Taylor-Couette flow is caused by Ekman flow at the end walls, which causes an estimated turbulence energy fraction of (δv/v) ²~10 ^-3.
DOI: 10.1103/PhysRevLett.106.175003
Extremely Stable Sodium Metal Batteries Enabled by Localized High-Concentration Electrolytes

Journal Article Zheng, Jianming ; Chen, Shuru ; Zhao, Wengao ; ... - ACS Energy Letters

Sodium (Na) metal is a promising anode for Na ion batteries. However, the high reactivity of Na metal with electrolytes and the low Na metal cycling efficiency have limited its practical application in rechargeable Na metal batteries. High concentration electrolytes (HCE, ≥4 M) consisting of sodium bis(fluorosulfonyl)imide (NaFSI) and ether solvent could ensure the stable cycling of Na metal with high coulombic efficiency, but suffer from high viscosity, poor wetting ability, and high salt cost. Here, we report that the salt concentration could be significantly reduced (≤ 1.5 M) by diluting with a hydrofluoroether (HFE) as ‘inert’ diluent, which maintainsmore »« less
DOI: 10.1021/acsenergylett.7b01213
Catalytic refinement under pressure of a light oil of coal tar consisting mainly of benzene. [Refinement of 320/sup 0/C and 38 atm of H-containing gas to produce high-octane motor fuel; yield of 98% regardless of initial material; refined product contains no S or S compound] (in Spanish)

Journal Article Val, C. ; del Jose, L. - Ion (Madrid)

Similar Records