TY  - JOUR
AU  - Ahmed, Abdullah Ahmed Ali
AU  - Havenridge, Shana
AU  - Sahoo, Koustav
AU  - Thapa, Loknath
AU  - Baksi, Ananya
AU  - Clever, Guido
AU  - Noei, Heshmat
AU  - Kohantorabi, Mona
AU  - Stierle, Andreas
AU  - Raj, C. Retna
AU  - Parak, Wolfgang J.
AU  - Aikens, Christine M.
AU  - Chakraborty, Indranath
TI  - Effect of Ni‐Doping on the Optical, Structural, and Electrochemical Properties of Ag 29 Nanoclusters
JO  - Small
VL  - 21
IS  - 2
SN  - 1613-6810
CY  - Weinheim
PB  - Wiley-VCH
M1  - PUBDB-2025-00315
SP  - 2408096
PY  - 2025
N1  - This workwas supported by the Deutsche Forschungsgemeinschaft (DFG grant PA794_28-2 to W. J. P.).
AB  - Atomically precise metal nanoclusters (NCs) can be compositionallycontrolled at the single-atom level, but understanding structure-propertycorrelations is required for tailoring specific optical properties. Here, theimpact of Ni atom doping on the optical, structural, and electrochemicalproperties of atomically precise 1,3-benzene dithiol (BDT) protected Ag29 NCsis studied. The Ni-doped Ag29 (NiAg28(BDT)12) NCs, are synthesized using aco-reduction method and characterized using electrospray ionization massspectrometry (ESI MS), ion mobility spectrometry (IMS), and X-rayphotoelectron spectroscopy (XPS). Only a single Ni atom doping can beachieved despite changing the precursor concentration. Ni doping in Ag29NCs exhibits enhanced thermal stability, and electrocatalytic oxygen evolutionreaction (OER) compared to the parent NCs. Density functional theory (DFT)calculations predict the geometry and optical properties of the parent andNiAg28(BDT)12 NCs. DFT is also used to study the systematic single-atomdoping effect of metals such as Au, Cu, and Pt into Ag29 NCs and suggeststhat with Ni and Pt, the d atomic orbitals contribute to creating superatomicorbitals, which is not seen with other dopants or the parent cluster. Theemission mechanism is dominated by a charge transfer from the ligands intothe Ag core cluster regardless of the dopant.A. A.
LB  - PUB:(DE-HGF)16
C6  - pmid:39580690
UR  - <Go to ISI:>//WOS:001362374700001
DO  - DOI:10.1002/smll.202408096
UR  - https://bib-pubdb1.desy.de/record/622277
ER  -