21:I[432972,["/_next/static/chunks/bb923814e1f4d2e9.js","/_next/static/chunks/dd3ee9f5b7716ca6.js","/_next/static/chunks/4204a0ae82542ca8.js","/_next/static/chunks/30036bedc5269936.js","/_next/static/chunks/6e1aa89a642f40be.js","/_next/static/chunks/cd5e572bc3e4eb92.js","/_next/static/chunks/8ffd0b71567920d8.js","/_next/static/chunks/67ea6dfd21f16c5f.js","/_next/static/chunks/24eb4379f68013fd.js","/_next/static/chunks/b8cd775ffdf935bd.js","/_next/static/chunks/983103cd9eb7b428.js","/_next/static/chunks/d4ac9dcf27f6ff52.js","/_next/static/chunks/294b9525248c8e5f.js"],"default"] 22:T53f,Efficient CO₂ activation remains a pivotal challenge in photocatalytic CO₂ reduction, necessitating precise electronic modulation of catalytic centers to overcome kinetic limitations. In this work, we engineer Ni(bpy)₃Br₂ cocatalyst aggregates via noncovalent self-assembly and systematically unravel the role of aggregation in governing photocatalytic performance. A synergistic combination of experimental and theoretical analyses demonstrates that symmetry disruption within the aggregates induces localized charge redistribution. Such a charge redistribution triggers a 0.6 eV upshift in the Ni d-band center, which delivers lower Gibbs free energies for the formation of *CO₂ and *COOH. The optimized aggregates achieve a record-high quantum yield of 26.84% at 450 nm with 99.3% CO selectivity, representing the highest performance reported to date for visible-light-driven CO₂-to-CO conversion systems. Importantly, the d-band center of the Ni sites can be precisely modulated by varying the aggregation degree of Ni(bpy)₃Br₂. This work not only advances a novel d-band center modulation strategy for electronic configuration engineering but also provides in-depth atomic-level insights into the aggregation-induced symmetry-regulated d-band center.

#	Concept	H-Index	Publications	Citations
1	Medicine	1	1	58
2	Social Sciences	1	1	58
3	Cognitive Science	1	1	58
4	Neuroscience	1	1	58
5	Psychology	1	1	58

	Year	Citations

About

Top Concepts