Backbone NxH compounds at high pressures

Goncharov, Alexander F.; Holtgrewe, Nicholas; Qian, Guangrui; Hu, Chaohao; Oganov, Artem R.; Somayazulu, Maddury; Stavrou, Elissaios; Pickard, Chris J.; Berlie, Adam; Yen, Fei; Mahmood, Mahmood; Lobanov, Sergey S.; Konopkova, Zuzana; Prakapenka, Vitali B.

doi:10.1063/1.4922051

Backbone N_xH compounds at high pressures

Journal Article · Fri Jun 05 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4922051· OSTI ID:1335451

Goncharov, Alexander F. ^[1]; Holtgrewe, Nicholas ^[2]; Qian, Guangrui ^[3]; Hu, Chaohao ^[4]; Oganov, Artem R. ^[5]; Somayazulu, Maddury ^[6]; Stavrou, Elissaios ^[6]; Pickard, Chris J. ^[7]; Berlie, Adam ^[8]; Yen, Fei ^[8]; Mahmood, Mahmood ^[9]; Lobanov, Sergey S. ^[10]; Konopkova, Zuzana ^[11]; Prakapenka, Vitali B. ^[12]

Chinese Academy of Sciences (CAS), Anhui (China); Carnegie Institution of Washington, Washington, D.C. (United States); Univ. of Science and Technology of China, Hefei (China); Carnegie Institution of Washington
Carnegie Institution of Washington, Washington, D.C. (United States); Howard Univ., Washington, D.C. (United States)
State Univ. of New York, Stony Brook, NY (United States); Guilin Univ. of Electronic Technology, Guilin (China)
Guilin Univ. of Electronic Technology, Guilin (China)
Skolkovo Institute of Science and Technology, Moscow (Russia); State Univ. of New York, Stony Brook, NY (United States); Guilin Univ. of Electronic Technology, Guilin (China); Moscow Institute of Physics and Technology, Moscow Region (Russian Federation)
Carnegie Institution of Washington, Washington, D.C. (United States)
Univ. College London, London (United Kingdom)
Chinese Academy of Sciences (CAS), Anhui (China)
Howard Univ., Washington, D.C. (United States)
Carnegie Institution of Washington, Washington, D.C. (United States); V.S. Sobolev Institute of Geology and Mineralogy, Novosibirsk (Russia)
Deutsches Elektronen-Synchrotron (DESY) Photon Science, Hamburg (Germany)
Univ. of Chicago, Chicago, IL (United States)

Optical and synchrotron x-ray diffraction diamond anvil cell experiments have been combined with first principles theoretical structure predictions to investigate mixtures of N₂ and H₂ up to 55 GPa. Our experiments show the formation of structurally complex van der Waals compounds above 10 GPa. However, we found that these N_xH (0.52, H₂, and NH₃ above approximately 40 GPa. Lastly, our results suggest new pathways for synthesis of environmentally benign high energy-density materials. These materials could also exist as alternative planetary ices.

View Accepted Manuscript (DOE)

Research Organization:: Carnegie Institution of Washington, Washington, D.C. (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: FG02-94ER14466; NA0002006

OSTI ID:: 1335451

Alternate ID(s):: OSTI ID: 1228626
OSTI ID: 22415938
OSTI ID: 1184242

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 21 Vol. 142; ISSN JCPSA6; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Reactivity of Hydrogen-Helium and Hydrogen-Nitrogen Mixtures at High Pressures Turnbull, Robin; Donnelly, Mary-Ellen; Wang, Mengnan Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-04750	text	January 2018

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