[3B01-11] Low-dimensional Material / Nanostructure / Nanomaterial (LD/NS/NM))

9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)

[3B02] Control of charge transfer at nitrogen-doped graphene catalyst/substrate interfaces as a key factor in modulating oxygen reduction reaction activity

*Shota Sato¹, Taichi Takashima¹, Syeda Anmol Rida¹, Akira Sumiyoshi¹, Ranferi Cancino Betancourt¹, Naoki Shinyoshi¹, Jun Nakamura¹ (1. The University of Electro-Communications (Japan))

Our previous theoretical results highlighted that the overall charge transfer due to the work function difference between the nitrogen-doped graphene (NG) catalyst and the substrate is one of the indicators for modulating oxygen reduction reaction (ORR) activity. This study focuses on how localized charge transfer at the NG catalyst/substrate interface affects ORR activity using first-principles calculations. For the NG catalyst supported on the substrate, the strength of OOH adsorption, which determines the maximum electrode potential (U_Max), is derived from the change in electron density not at the reactive site, but across the entire NG catalyst region.

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