title: Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.
abstract: Controlling the bimetal nanoparticle with atomic monodispersity is still challenging. Herein, a monodisperse bimetal nanoparticle is synthesized in 25% yield (on gold atom basis) by an unusual replacement method. The formula of the nanoparticle is determined to be Au24Hg1(PET)18 (PET: phenylethanethiolate) by high-resolution ESI-MS spectrometry in conjunction with multiple analyses including X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA). X-ray single-crystal diffraction reveals that the structure of Au24Hg1(PET)18 remains the structural framework of Au25(PET)18 with one of the outer-shell gold atoms replaced by one Hg atom, which is further supported by theoretical calculations and experimental results as well. Importantly, differential pulse voltammetry (DPV) is first employed to estimate the highest occupied molecular orbit (HOMO) and the lowest unoccupied molecular orbit (LUMO) energies of Au24Hg1(PET)18 based on previous calculations.
authors.affiliation: †Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of Sciences (CAS), Hefei, 230031, China.
authors.forename: Lingwen
authors.initials: L
authors.lastname: Liao
authors.affiliation: ‡Hefei National Laboratory for Physics Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Shiming
authors.initials: S
authors.lastname: Zhou
authors.affiliation: ‡Hefei National Laboratory for Physics Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Yafei
authors.initials: Y
authors.lastname: Dai
authors.affiliation: ‡Hefei National Laboratory for Physics Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Liren
authors.initials: L
authors.lastname: Liu
authors.affiliation: †Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of Sciences (CAS), Hefei, 230031, China.
authors.forename: Chuanhao
authors.initials: C
authors.lastname: Yao
authors.affiliation: ‡Hefei National Laboratory for Physics Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Cenfeng
authors.initials: C
authors.lastname: Fu
authors.affiliation: ‡Hefei National Laboratory for Physics Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Jinlong
authors.initials: J
authors.lastname: Yang
authors.affiliation: †Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of Sciences (CAS), Hefei, 230031, China.
authors.forename: Zhikun
authors.initials: Z
authors.lastname: Wu