Structures and properties of transition metal-doped silver clusters M@Ag12 (M = 3 d-5 d)
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OpenAlex topics: Nanocluster Synthesis and Applications · nanoparticles nucleation surface interactions · Advanced Chemical Physics Studies
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References (31)
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1. Yang X, Cai W, Shao X (2007) Structural variation of silver clusters from Ag13 to Ag160. J Phys Chem A 111:5048–505610.1021/jp0711895 ↗
2. Meeprasert J, Junkaew A, Rungnim C, Kunaseth M, Kungwan N, Promarak V, Namuangruk S (2016) Capability of defective graphene-supported Pd13 and Ag13 particles for mercury adsorption. Appl Surf Sci 364:166–17510.1016/j.apsusc.2015.12.078 ↗
3. Harb M, Rabilloud F, Simon D, Rydlo A, Lecoultre S, Conus F, Rodrigues V, Félix C (2008) Optical absorption of small silver clusters: Agn (n = 4–22). J Chem Phys 129:19410810.1063/1.3013557 ↗
4. Pereiro M, Baldomir D, Arias J (2007) Unexpected magnetism of small silver clusters. Phys Rev A 75:06320410.1103/PhysRevA.75.063204 ↗
5. Xiong R, Die D, Xiao L, Xu YG, Shen XY (2017) Probing the structural, electronic, and magnetic properties of AgnV (n = 1–12) clusters. Nanoscale Res Lett 12:1–1210.1186/s11671-017-2394-0 ↗
6. Wei P, Zheng J, Li Q, Qin Y, Guan H, Tan D, Song L (2022) The modulation mechanism of geometric and electronic structures of bimetallic catalysts: Pd13−mAgm (m = 0–13) clusters for acetylene semi-hydrogenation. Inorg Chem Front 9:5169–518010.1039/D2QI01222G ↗
7. Sun Q, Wang Q, Yu J, Li Z, Wang J, Kawazoe Y (1997) Local magnetism of 3d and 4d impurities in Ag and Pd clusters. J Phys I FYance 7:1233–1244
8. Rodríguez-Kessler P, Rodríguez-Carrera S, Muñoz-Castro A (2024) Hydrogen evolution reaction on Ag12M icosahedrons: a DFT study. Chem Phys Lett 856:14158810.1016/j.cplett.2024.141588 ↗
9. Rodríguez-Kessler P, Rodríguez-Carrera S, Guevara-Vela JM, Rocha-Rinza T, Orozco-Ic M, Olalde-López D, Muñoz-Castro A (2025) Structures and stabilities Ru-doped Agn (n = 1–13) clusters: Ag10Ru a 18-ve cluster superatom. Inorg Chim Acta 574:12234910.1016/j.ica.2024.122349 ↗
10. Rodríguez-Kessler P, Pan S, Florez E, Cabellos JL, Merino G (2017) Structural evolution of the rhodium-doped silver clusters AgnRh (n ≤ 15) and their reactivity toward NO. J Phys Chem C 121:19420–1942710.1021/acs.jpcc.7b05048 ↗
11. Du Q, Wu X, Wang P, Wu D, Sai L, King RB, Park SJ, Zhao JJ (2020) Structure evolution of transition metal-doped gold clusters M@Au12 (M = 3d–5d): across the periodic table. J Phys Chem C 124:7449–745710.1021/acs.jpcc.9b11588 ↗
12. Janssens E, Neukermans S, Nguyen HMT, Nguyen MT, Lievens P (2005) Quenching of the magnetic moment of a transition metal dopant in silver clusters. Phys Rev Lett 94(11):340110.1103/PhysRevLett.94.113401 ↗
13. Long J, Qiu YX, Wang SG (2008) A DFT study of 5d transition metal impurities encapsulated in the icosahedral and cuboctahedral Ag12 cages. Acta Chim Sinica 66:1771–1775
14. Mai NT, Lan NT, Cuong NT, Tam NM, Ngo ST, Phung TT, Dang NV, Tung NT (2021) Systematic investigation of the structure, stability, and spin magnetic moment of CrMn clusters (M = Cu, Ag, Au, and n = 2–20) by DFT calculations. ACS Omega 6:20341–2035010.1021/acsomega.1c02282 ↗
15. Suzuki Y, Matsumoto K, Nomi R, Arakawa M, Horio T, Terasaki A (2024) Photoelectron imaging signature for selective formation of icosahedral anionic silver cages encapsulating group 5 elements: M@Ag12-(M= V, Nb, and Ta). J Phys Chem Lett 15:4327–433210.1021/acs.jpclett.4c00775 ↗
16. Zhang M, Gu XY, Zhang WL, Zhao LN, He LM, Luo YH (2010) Probing the magnetic and structural properties of the 3d, 4d, 5d impurities encapsulated in an icosahedral Ag12 cage. Physica B 405:642–64810.1016/j.physb.2009.09.080 ↗
17. Tian Z, He D, Sun J, Zhang T, Song C (2025) Density functional study on the structures and adsorption properties of PtAgn (n = 1–16) clusters. Int J Quantum Chem 125:e7002210.1002/qua.70022 ↗
18. Frisch GTM, Schlegel H, Scuseria G, Robb M, Cheeseman J, Scalmani G, Barone V, Petersson G, Nakatsuji H et al (2016) Gaussian 16,. Revision avx. Gaussian Inc, Wallingford, CT
19. Tian Z, Song C, Wang C (2022) First principle study on the structures and properties of Agm(Ag2S)6 (m= 3–12) clusters. J Nanopart Res 24:10410.1007/s11051-022-05491-7 ↗
20. Xiao B, Sun J, Ruzsinszky A, Feng J, Haunschild R, Scuseria GE, Perdew JP (2013) Testing density functionals for structural phase transitions of solids under pressure: Si, SiO2, and Zr. Phys Rev B 88:18410310.1103/PhysRevB.88.184103 ↗
21. Weigend F, Ahlrichs R (2005) Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy. Phys Chem Chem Phys 7:3297–330510.1039/b508541a ↗
22. Wang Y, Liu Q, Qiu L, Wang T, Yuan H, Lin J, Luo S (2015) Molecular structure, IR spectra, and chemical reactivity of cisplatin and transplatin: DFT studies, basis set effect and solvent effect. Spectrochim Acta A 150:902–90810.1016/j.saa.2015.06.027 ↗
23. McKee ML, Samokhvalov A (2017) Density functional study of neutral and charged silver clusters Agn with n = 2–22. Evolution of properties and structure. J Phys Chem A 121:5018–502810.1021/acs.jpca.7b03905 ↗
24. Tian D, Zhang H, Zhao J (2007) Structure and structural evolution of Agn (n = 3–22) clusters using a genetic algorithm and density functional theory method. Solid State Commun 144:174–17910.1016/j.ssc.2007.05.020 ↗
25. Dennington R, Keith TA, Millam JM (2016) GaussView 6.0. 16. Semichem Inc., Shawnee Mission. KS, USA
26. Lu T, Chen F (2012) Multiwfn: a multifunctional wavefunction analyzer. J Comput Chem 33:580–59210.1002/jcc.22885 ↗
27. Breneman CM, Wiberg KB (1990) Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis. J Comput Chem 11:361–37310.1002/jcc.540110311 ↗
28. Li X, Kiran B, Li J, Zhai HJ, Wang LS (2002) Experimental observation and confirmation of icosahedral W@Au12 and Mo@Au12 molecules. Angew Chem 114:4980–498310.1002/ange.200290047 ↗
29. Tantardini C, Oganov AR (2021) Thermochemical electronegativities of the elements. Nat Commun 12:208710.1038/s41467-021-22429-0 ↗
30. Canestrari N, Nelli D, Ferrando R (2025) General theory for packing icosahedral shells into multi-component aggregates. Nat Commun 16:165510.1038/s41467-025-56952-1 ↗
31. Li ZK, Li PY, Wang ZH, Di RN, Wu YZ, Shi H, Li JS (2025) A DFT study on Ni-Cu core-shell nanoparticles: structure, stability, electronic and magnetic properties. J Nanopart Res 27:10110.1007/s11051-025-06300-7 ↗