Lee, H.W. Jung, E. Han, G.-H. Kim, M.-C. Kim, D. Lee, K.-Y. Han, S.S. Yu, T. 2024-01-19T13:31:49Z 2024-01-19T13:31:49Z 2022-01-10 2021-11 1948-7185 https://pubs.kist.re.kr/handle/201004/116200 In direct H2O2 synthesis, the Pd-Au alloy was considered as a potential catalyst because of its much better performance compared to the prototype Pd; unfortunately, achieving both high activity and selectivity remains a challenge. Here, we synthesized nonconcentric Pd-Au NPs in which Au domain shells are formed only partially on Pd domain cores and tested them for direct H2O2 synthesis. It has three exposed regions of Pd, Au domains, and Pd-Au interfaces in a single NP (hence, a 3-in-1 strategy). Creating nonconcentric forms was demonstrated convincingly by density functional theory calculations. The nonconcentric Pd-Au particles exhibit high and well-balanced performances that are hard to achieve with traditional alloyed Pd-Au. The number of Pd/Au interfaces was found to be the key factor and thus was optimized by controlling the Au precursor concentrations. The hitherto underutilized structure of nonconcentric bimetallic alloys can be useful and thus should be more actively investigated for catalyst development. ？ 2021 American Chemical Society. English American Chemical Society Three-in-One Strategy to Improve Both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles Article 10.1021/acs.jpclett.1c03256 1 The Journal of Physical Chemistry Letters, v.12, no.45, pp.11098 - 11105 The Journal of Physical Chemistry Letters 12 45 11098 11105 N scie scopus 000744192900010 2-s2.0-85119592005 Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Atomic, Molecular & Chemical Chemistry Science & Technology - Other Topics Materials Science Physics Article PALLADIUM SURFACES STRAIN ALLOY NANOPARTICLES H2O2 O-2 HYDROGENATION ADSORPTION REDUCTION Pd-Au alloy Nanoparticle Catalyst H2O2 direct synthesis Density functional theory