Materials Data on Co2NiO4 by Materials Project

doi:10.17188/1652313

Title: Materials Data on Co2NiO4 by Materials Project

Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1304693

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Co2NiO4; Co-Ni-O

OSTI Identifier:: 1652313

DOI:: https://doi.org/10.17188/1652313

Citation Formats


                    The Materials Project. Materials Data on Co2NiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652313.

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                    The Materials Project. Materials Data on Co2NiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652313

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                    The Materials Project. 2020.  
"Materials Data on Co2NiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652313.  https://www.osti.gov/servlets/purl/1652313. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1652313,

  title        = {Materials Data on Co2NiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},

  doi          = {10.17188/1652313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1652313

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Works referenced in this record:

Films minces de Co3O4 et NiCo2O4 obtenus par n�bulisation r�active (spray) pour l'�lectrocatalyse. I. Pr�paration et analyses physiques
journal, July 1988

Hamdani, M.; Koenig, J. F.; Chartier, P.
Journal of Applied Electrochemistry, Vol. 18, Issue 4
https://doi.org/10.1007/bf01022251

Preparation of NiCo ₂ O ₄ Nanosheet Arrays and its High Catalytic Performance for H ₂ O ₂ Electroreduction
journal, February 2015

Wang, Y.; Cheng, K.; Cao, D.
Fuel Cells, Vol. 15, Issue 2
https://doi.org/10.1002/fuce.201300299

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Materials Data on Co2NiO4 by Materials Project

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NiCo2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Co–O bond lengths are 1.93 Å. Ni2+ is bonded to four equivalent O2- atoms to form NiO4 tetrahedra that share corners with twelve equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ni–O bond lengths are 1.93 Å. O2- is bonded to three equivalent Co3+ and one Ni2+ atom to form a mixture ofmore »« less
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Similar Records

Title: Materials Data on Co2NiO4 by Materials Project

Abstract

Citation Formats

Films minces de Co3O4 et NiCo2O4 obtenus par n�bulisation r�active (spray) pour l'�lectrocatalyse. I. Pr�paration et analyses physiques journal, July 1988

Preparation of NiCo 2 O 4 Nanosheet Arrays and its High Catalytic Performance for H 2 O 2 Electroreduction journal, February 2015

Films minces de Co3O4 et NiCo2O4 obtenus par n�bulisation r�active (spray) pour l'�lectrocatalyse. I. Pr�paration et analyses physiques
journal, July 1988

Preparation of NiCo ₂ O ₄ Nanosheet Arrays and its High Catalytic Performance for H ₂ O ₂ Electroreduction
journal, February 2015