Breaking the Activity-and-Selectivity Seesaw while Enhancing Heat Management via the Lattice Effect of a Single-Atom Alloy

IF 8.3 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

ACS Applied Materials & Interfaces Pub Date : 2025-04-25 DOI:10.1021/acsami.5c02716

Fengyu Zhang, Yanping Yang, Qian Wang, Xiaomeng Chen, Lulu Xie, Xintao Li, Dianqing Li, Junting Feng, Xue Duan

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Abstract

When single-atom catalysts are oriented toward practical applications, in addition to balancing the seesaw between activity and selectivity, the capability of thermal management also merits attention. Herein, we proposed a facility approach that, based on active Pd in the state of a single atom, tunes the guest Cu size to simultaneously enhance the effect of d-electron domination and the heat transfer behavior in microregions. Along with the Cu size in an order of magnitude increase, more delocalized electrons were generated and transferred to isolated Pd sites, with the d band center shifting from 1.438 to 1.052 eV, closer to the Fermi level. Simultaneously, more long-range ordered lattices are much favorable for transferring in situ generated thermally phonons with the diffusivity surging from 12.36 to 103.49 mm²/s. The optimized Pd₁Cu-SAA catalyst exhibited state-of-the-art performance in acetylene hydrogenation, achieving full conversion at 140 °C, with 95.3% selectivity and good stability in the test period.

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来源期刊

ACS Applied Materials & Interfaces 工程技术-材料科学：综合

CiteScore

16.00

自引率

6.30%

发文量

4978

审稿时长

1.8 months

期刊介绍： ACS Applied Materials & Interfaces is a leading interdisciplinary journal that brings together chemists, engineers, physicists, and biologists to explore the development and utilization of newly-discovered materials and interfacial processes for specific applications. Our journal has experienced remarkable growth since its establishment in 2009, both in terms of the number of articles published and the impact of the research showcased. We are proud to foster a truly global community, with the majority of published articles originating from outside the United States, reflecting the rapid growth of applied research worldwide.