The geometric and electronic structures of a Ag₁₃Cu₁₀(SAdm)₁₂X₃ nanocluster

Abstract

A Cu-rich alloy nanocluster [Ag13Cu10(SAdm)12]X3 is reported, and its geometric and electronic structures are further determined via theoretical calculations.

A bimetallic Ag15Cu12(S-c-C6H11)18(CH3COO)3 nanocluster featuring an irregular Ag12 kernel

“…S2†). This was similar to the reported Ag 74 (CCPh) 44 , 48 Ag 13 Cu 10 (C 10 H 15 S) 12 X 3 , 18 and [Au 1 Ag 26 (SR) 18 Cl], 49 which indicated that phosphine ligands played a role in the synthesis process. In addition, phosphine ligands with different substituting groups ( i.e.…”

“…The total structure could be divided into two parts, including a Ag 12 core and a Ag 3 Cu 12 (SR) 18 (CH 3 COO) 3 shell. In comparison, the reported NCs containing 27 metal atoms, such as Ag 27 51 and Au 1 Ag 26 , 49 or the NCs containing close to 27 metal atoms, such as Ag 13 Cu 10 , 18 Ag 25 Cu 4 31 and Ag 25 , 52 typically presented an icosahedral M 13 kernel. The reported Au 27 Cd 1 also consisted of a bi-icosahedral kernel, which was made up of two icosahedral Au 13 units sharing a common triangular Au 3 face.…”

“…25 After that, a limited number of Ag–Cu NCs have been reported sequentially. For example, Ag 40.13 Cu 13.87 , 26 Ag 20 Cu 12 , 27 Ag 30 Cu 14 , 28 Ag 61 Cu 30 , 21 Ag 13 Cu 10 , 18 Ag 32 Cu 12 , 29 Ag 32 Cu 18 , 9 Ag 37 Cu 2 , 30 Ag 25 Cu 4 , 31,32 and Ag 77 Cu 22 33 were obtained by direct co-reduction; Ag 17 Cu 12 , 34 Ag 8 Cu 6 , 35 Ag 17 Cu 4 , 36 and Cu n Ag 33− n (6 ≥ n ≥ 2) 37 were prepared by doping Cu in Ag NCs; Ag 9 Cu 6 was synthesized by an anti-galvanic reaction (AGR) approach; 38 Ag 29− x Cu x ( x = 0–14) was obtained from Ag 29 clusters following an intercluster reaction with another highly stable Cu 12 S 6 cluster in solution, 39 and so on. Notably, the majority of the reported Ag/Cu NCs possess a regular icosahedral Ag 13 kernel, i.e.…”

In Situ Monitoring of Scale Effects on Phase Selection and Plasmonic Shifts during the Growth of AgCu Alloy Nanostructures for Anticounterfeiting Applications

“…In this respect, the kinetics during the formation of bimetallic clusters has attracted big interest. Especially the temporal evolution of their electronic and geometric structure was investigated. , Observing the formation of such bimetallic clusters during deposition and the concomitant phase separation on the nanoscale in real-time was hitherto accessed by molecular dynamics (MD) simulations . In detail, the system silver (Ag)–copper (Cu) alloy has received considerable attraction.…”

A homoleptic alkynyl-protected [Ag9Cu6(tBuCC)12]+ superatom with free electrons: synthesis, structure analysis, and different properties compared with the Au7Ag8 cluster in the M15+ series

“… 21 Recently, Bao et al prepared the [Ag 13 Cu 10 (SAdm) 12 ] 3+ (Adm = –SC 10 H 15 ) NC, which has a Ag 13 core and a Cu 10 (SAdm) 12 shell. 22 …”