Browsing by Author Zhou, Yecheng

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni2o3 hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--480.83619738; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni2o3 pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--296.22381181; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni3o4 hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--464.68806233; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/ni3o4 pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--285.89386099; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--407.97147513; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--248.11547457; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2 hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--566.52920858; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2 pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--351.75998955; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2h2 hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--847.95005976; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2h2 pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--606.72124283; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/niooh hsestc2Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--713.21319358; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/niooh pbestcZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--482.37996447; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe AFM-PBE_Zhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--10.64143808; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe AFM_HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--21.99994145; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe FM-PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--11.41452215; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Fe FM_HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--23.17402398; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni AFM-HSEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni AFM-PBEsolZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complexSingle pointDFT--5.66605456; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_Ni_AFM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--4.37547294; eV
Login required8-Jan-2020/Energies_to_plot_Pourbaix_diagram/Energies_of_metal_phase/Energies_of_Ni E_NI_FM_PBEZhou, Yechengvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--4.93255384; eV