Abstract
AbstractIt 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.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
