Active_site_identification_doped_Co3O4
Type: Calculation/Computational Sample show more
ObjectId: 35898
Created: 11/10/2025 12:31:12 AM by A06) Dhaka Kapil [kapil.dhaka@uni-due.de]
Updated: 11/10/2025 12:42:00 AM by A06) Dhaka Kapil [kapil.dhaka@uni-due.de]
Access: Public Sort Code (asc): 0
License: CC BY 4.0
Description: Change in the limiting free-energy span dGₘₐₓ(U) at U = 1.37 V vs RHE for undoped and different TM-doped Co3O4 systems. Bars represent the effect of different doping configurations: Undoped-Co3O4->Co (gold), Undoped-Co3O4->TM (turquoise), Co->TM (blue) and TM->2TM (orange). Negative values correspond to a reduction in Gₘₐₓ(U), which indicates a promoting effect of the respective dopant. Stars highlight the most favorable site configurations for each dopant.
File attached: promoting_effect.png 46.5 Kb
: Co-O
Referenced Objects (Reverse Association)
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ChemRxiv 2025 (Dhaka)
PublicationK. Dhaka, H. M. A. Amin, D. Beschi, D. Schellenburg, B. Mockenhaupt, S. Barcikowski, S. Schulz, K. S. Exner, “Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening 3d Transition-Metal-Doped Co₃O₄ for the Oxygen Evolution Reaction,” ChemRxiv , 2025, DOI: 10.26434/chemrxiv-2025-vnm2f.
unifying-scaling-relations-and-multiple-reaction-mechanisms-for-screening-transition-metal-doped-co3o4-for-oxygen-evolution-reaction.pdf
All properties (except table)
No properties found