Suppressing Jahn-Teller distortion of MnO<sub>2</sub> via B-Ni dual single-atoms integration for methane catalytic combustion.

Gu, Huayu; Wang, Fanyu; Chen, Sai; Lan, Jintong; Wang, Jun; Pei, Chunlei; Liu, Xiao; Gong, Jinlong · Nat Commun · 2025

basic_science · Level V

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Abstract

Precisely managing electron transfer pathways throughout the catalytic reaction is paramount for bolstering both the efficacy and endurance of catalysts, offering a pivotal solution to addressing concerns surrounding host structure destabilization and cycling life degradation. This paper describes the integration of B-Ni dual single-atoms within MnO<sub>2</sub> channels to serve as an electronic reservoir to direct the electron transfer route during methane catalytic combustion. Comprehensive analysis discovers that B atoms weaken the interaction between O and Mn atoms by forming bonds with lattice oxygen atoms. Meanwhile, Ni atoms facilitate electron transfer to achieve the heightened activity of MnO<sub>2</sub>. The B-Ni dual-sites instead of Mn (IV) could accommodate excess electrons generated during the reaction to inhibit the formation of high spin Mn (III) species, thereby hindering the Jahn-Teller distortion and maintaining the catalyst stability. This work demonstrates an effective modification strategy to substantially prolong the service life of MnO<sub>2</sub>-based materials.