Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation

Relevant structures for the CP (co-precipitation) and DI (dry impregnation) catalysts obtained from Pd-doped In2O3 for the CO2 reduction to methanol.

CC-BY-4.0

The original dataset source can be reviewed here

This dataset derived results are published in:

Manuscript title: Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation

Journal: Nat. Commun.

DOI: 10.1038/s41467-019-11349-9

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegCP-1Pd-i01García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1094.55500349; eV
thumbnail.jpegCP-1Pd-i02García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1103.54800399; eV
thumbnail.jpegCP-1Pd-i03García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1102.60424932; eV
thumbnail.jpegCP-1Pd-i04García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1087.67676991; eV
thumbnail.jpegCP-1Pd-i10García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1087.67766478; eV
thumbnail.jpegCP-1Pd-i11García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1095.58652111; eV
thumbnail.jpegCP-1Pd-i12García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1095.58652111; eV
thumbnail.jpegCP-1Pd-i13García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1096.43324910; eV
thumbnail.jpegCP-1Pd-i14García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1095.36658424; eV
thumbnail.jpegCP-1Pd-i15García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1080.38933467; eV
thumbnail.jpegCP-1Pd-i16García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1087.82135743; eV
thumbnail.jpegCP-1Pd-i17García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1103.99894672; eV
thumbnail.jpegCP-1Pd-i18García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1111.45973863; eV
thumbnail.jpegCP-1Pd-i20García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1111.90234178; eV
thumbnail.jpegCP-1Pd-i21García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1119.76980131; eV
thumbnail.jpegCP-1Pd-i22García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1119.14235845; eV
thumbnail.jpegCP-1Pd-i23García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1117.94862977; eV
thumbnail.jpegCP-1Pd-i24García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1119.14242388; eV
thumbnail.jpegCP-1Pd-i25García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1126.84656929; eV
thumbnail.jpegCP-1Pd-i26García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1125.08054441; eV
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