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Engendering Unprecedented Activation of Oxygen Evolution via Rational Pinning of Ni Oxidation State in Prototypical Perovskite : Close Juxtaposition of Synthetic Approach and Theoretical Conception
- Source :
- Pittkowski, R, Divanis, S, Klementova, M, Nebel, R, Nikman, S, Hoster, H, Mukerjee, S, Rossmeisl, J & Krtil, P 2021, ' Engendering Unprecedented Activation of Oxygen Evolution via Rational Pinning of Ni Oxidation State in Prototypical Perovskite : Close Juxtaposition of Synthetic Approach and Theoretical Conception ', ACS Catalysis, vol. 11, no. 2, pp. 985-997 . https://doi.org/10.1021/acscatal.0c04733, ACS Catalysis
- Publication Year :
- 2021
-
Abstract
- Rational optimization of the OER activity of catalystsbased on LaNiO3 oxide is achieved by maximizing the presence of trivalent Ni in the surface structure. DFT investigations of the LaNiO3catalyst and surface structures related to it predict an improvement inthe OER activity for these materials to levels comparable with the topof the OER volcano if the La content is minimized while the oxidationstate of Ni is maintained. These theoretically predicted structures ofhigh intrinsic OER activity can be prepared by a templated spray-freeze freeze-drying synthesis followed by a simple postsynthesisexfoliation-like treatment in acidic media. These nanocrystallineLaNiO3-related materials confirm the theoretical predictions, showinga dramatic improvement in OER activity. The exfoliated surfacesremain stable in OER catalysis, as shown by an in-operando ICP-OESstudy. The unprecedented OER activation of the synthesized LaNiO3-based materials is related to a close juxtaposition of the theoretical conception of ideal structural motifs and the ability to engendersuch motifs using a unique synthetic procedure, both principally related to stabilization and pinning of the Ni oxidation state within the local coordination environment of the perovskite structure.
- Subjects :
- Materials science
rational catalyst design
NICKEL
Oxide
CATALYSTS
02 engineering and technology
010402 general chemistry
Electrocatalyst
01 natural sciences
DFT
Catalysis
oxygen evolution
chemistry.chemical_compound
Oxidation state
ALKALINE
RECENT PROGRESS
NANOPARTICLES
Surface structure
electrocatalysis
WATER
Perovskite (structure)
Elektrotechnik
Oxygen evolution
General Chemistry
ELECTROCATALYTIC ACTIVITY
021001 nanoscience & nanotechnology
Nanocrystalline material
0104 chemical sciences
NANOCRYSTALS
chemistry
Chemical physics
RUO2
0210 nano-technology
LANIO3
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- Pittkowski, R, Divanis, S, Klementova, M, Nebel, R, Nikman, S, Hoster, H, Mukerjee, S, Rossmeisl, J & Krtil, P 2021, ' Engendering Unprecedented Activation of Oxygen Evolution via Rational Pinning of Ni Oxidation State in Prototypical Perovskite : Close Juxtaposition of Synthetic Approach and Theoretical Conception ', ACS Catalysis, vol. 11, no. 2, pp. 985-997 . https://doi.org/10.1021/acscatal.0c04733, ACS Catalysis
- Accession number :
- edsair.doi.dedup.....5c183e42e00b6f2aa63c93bb49d6d988