{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["3(9)"],"submitter":["Zhuang S"],"pubmed_abstract":["The emerging of ultrasmall gold nanoparticles (nanoclusters) with atomic precision provides opportunities for precisely studying crystalline-amorphous heterostructures, despite the construction of such structures being challenging. In this work, we developed an acid-induction method and synthesized a Au<sub>52</sub>(TBBT)<sub>30</sub> (TBBTH = 4-<i>tert</i>-butylbenzenelthiol) nanocluster with the kernel composed of two parts: the amorphous Au<sub>22</sub> part and the fcc Au<sub>21</sub> part, which represents the first construction of fcc-amorphous homometal heterojunction with ∼1 nm size. Density function theory (DFT) revealed that the HOMO-LUMO majorly distributed in the amorphous part and the HOMO-LUMO gap was dominated by the amorphous part, indicating the redox activity of the amorphous Au<sub>22</sub> part in contrast to the fcc Au<sub>21</sub> part, which was experimentally confirmed by differential pulse voltammetry, antioxidation test and anti-Galvanic reaction. But for electro-catalyzing reduction of CO<sub>2</sub> to CO, the crystalline surface sites were revealed to be more catalytically active than the amorphous surface sites in catalyzing the reduction of CO<sub>2</sub> to CO, and the most active sites were assigned to the cosurface sites of amorphous Au<sub>22</sub> and fcc Au<sub>21</sub>, which is also responsible for the high performance of Au<sub>52</sub>(TBBT)<sub>30</sub> relative to the pure fcc-structured Au<sub>52</sub>(TBBT)<sub>32</sub> (the highest CO FE: 96.7% at -0.67 V vs 73.3% at -0.57 V; CO partial current density at the corresponding potential: -7.3 vs -2.7 mA cm<sup>-2</sup>)."],"journal":["Precision chemistry"],"pagination":["516-524"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12458030"],"repository":["biostudies-literature"],"pubmed_title":["Atomically Precise Fcc-Amorphous Homometal Heterojunction with ∼1 nm Size."],"pmcid":["PMC12458030"],"pubmed_authors":["Wu Z","Liao L","Yang J","Wang P","Li J","Zhuang S","You Q","Pei Y","Deng H","Chen D"],"additional_accession":[]},"is_claimable":false,"name":"Atomically Precise Fcc-Amorphous Homometal Heterojunction with ∼1 nm Size.","description":"The emerging of ultrasmall gold nanoparticles (nanoclusters) with atomic precision provides opportunities for precisely studying crystalline-amorphous heterostructures, despite the construction of such structures being challenging. In this work, we developed an acid-induction method and synthesized a Au<sub>52</sub>(TBBT)<sub>30</sub> (TBBTH = 4-<i>tert</i>-butylbenzenelthiol) nanocluster with the kernel composed of two parts: the amorphous Au<sub>22</sub> part and the fcc Au<sub>21</sub> part, which represents the first construction of fcc-amorphous homometal heterojunction with ∼1 nm size. Density function theory (DFT) revealed that the HOMO-LUMO majorly distributed in the amorphous part and the HOMO-LUMO gap was dominated by the amorphous part, indicating the redox activity of the amorphous Au<sub>22</sub> part in contrast to the fcc Au<sub>21</sub> part, which was experimentally confirmed by differential pulse voltammetry, antioxidation test and anti-Galvanic reaction. But for electro-catalyzing reduction of CO<sub>2</sub> to CO, the crystalline surface sites were revealed to be more catalytically active than the amorphous surface sites in catalyzing the reduction of CO<sub>2</sub> to CO, and the most active sites were assigned to the cosurface sites of amorphous Au<sub>22</sub> and fcc Au<sub>21</sub>, which is also responsible for the high performance of Au<sub>52</sub>(TBBT)<sub>30</sub> relative to the pure fcc-structured Au<sub>52</sub>(TBBT)<sub>32</sub> (the highest CO FE: 96.7% at -0.67 V vs 73.3% at -0.57 V; CO partial current density at the corresponding potential: -7.3 vs -2.7 mA cm<sup>-2</sup>).","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T20:15:51.261Z","creation":"2026-05-30T03:06:57.168Z"},"accession":"S-EPMC12458030","cross_references":{"pubmed":["41001090"],"doi":["10.1021/prechem.5c00006"]}}