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- Title
Asymmetrically Doping a Platinum Atom into a Au<sub>38</sub> Nanocluster for Changing the Electron Configuration and Reactivity in Electrocatalysis.
- Authors
Liu, Xu; Wang, Endong; Zhou, Meng; Wan, Yan; Zhang, Yuankun; Liu, Haoqi; Zhao, Yue; Li, Jin; Gao, Yi; Zhu, Yan
- Abstract
It is an obstacle to precisely manipulate a doped heteroatom into a desired position in a metal nanocluster. Herein, we overcome this difficulty to obtain Pt1Au37(SCH2PhtBu)24 and Pt2Au36(SCH2PhtBu)24 nanoclusters via controllably doping Pt atoms into the kernels of Au38(SCH2PhtBu)24. We reveal that asymmetrical doping of one Pt atom into either of the cores of Au38(SCH2PhtBu)24 elevates the relative energy of the HOMO (highest occupied molecular orbital) accompanied by one valence electron loss of Pt1Au37(SCH2PhtBu)24, compared to Au38(SCH2PhtBu)24 with 14 electrons, while symmetrical doping of two Pt atoms into the cores of Au38(SCH2PhtBu)24 narrows the HOMO–LUMO gap (LUMO: lowest unoccupied molecular orbital) of Pt2Au36(SCH2PhtBu)24 with two valence electrons less. Consequently, Pt1Au37(SCH2PhtBu)24 shows an electron‐spin‐induced high activity for CO2 electroreduction, whereas Pt2Au36(SCH2PhtBu)24 is least efficient and Au38(SCH2PhtBu)24 has a decent performance.
- Subjects
ELECTRON configuration; FRONTIER orbitals; CONDUCTION electrons; ATOMS; ELECTROCATALYSIS; PLATINUM
- Publication
Angewandte Chemie, 2022, Vol 134, Issue 31, p1
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202207685