Light absorption in visible–NIR range by linear copper clusters (n = 2–22) with monoatomic thickness: a TD-DFT study
Source abstract
Abstract
The authors theoretically investigated absorbance spectra of the hypothetical 1D Cu clusters with 2–22 atoms and monoatomic thickness. In contrast to 3D isomers with interband transitions only ( 600 nm) compared to the nanoparticles with spherical geometry. Additionally, the large clusters (16–22 atoms) possess multiple bands in NIR range that is also in agreement with the experiment.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Nanocluster Synthesis and Applications · Gold and Silver Nanoparticles Synthesis and Applications · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (27)
Show source-provided references
1. Adamo C, Barone V (1999) Toward reliable density functional methods without adjustable parameters: the PBE0 model. J Chem Phys 110:6158–617010.1063/1.478522 ↗
2. Anak B, Bencharif M, Rabilloud F (2014) Time-dependent density functional study of UV-visible absorption spectra of small noble metal clusters (Cun, Agn, Aun, n = 2–9, 20). RSC Adv 4:13001–1301110.1039/c3ra47244b ↗
3. Baishya K, Idrobo JC, Ogut S, Yang M, Jackson KA, Jellinek J (2011) First-principles absorption spectra of Cun (n = 2–20) clusters. Phys Rev B 83:24540210.1103/PhysRevB.83.245402 ↗
4. Bhanushali B, Ghosh P, Ganesh A, Cheng W (2015) 1D Copper nanostructures: progress, challenges and opportunities. Small 11:1232–125210.1002/smll.201402295 ↗
5. Cao J, Sun T, Grattan KTV (2014) Gold nanorod-based localized surface plasmon resonance biosensors: a review. Sensors Actuators B Chem 195:332–35110.1016/j.snb.2014.01.056 ↗
6. Duan JL, Cornelius TW, Liu J, Karim S, Yao HJ, Picht O, Rauber M, Muller S, Neumann R (2009) Surface plasmon resonances of Cu nanowire arrays. J Phys Chem C 113:13583–1358710.1021/jp902894r ↗
7. Dykman L, Khlebtsov N (2012) Gold nanoparticles in biomedical applications: recent advances and perspectives. Chem Soc Rev 41:2256–228210.1039/C1CS15166E ↗
8. Gao B, Ruud K, Luo Y (2012) Plasmon resonances in linear noble-metal chains. J Chem Phys 137:19430710.1063/1.4766360 ↗
9. Granovsky A (n.d.) A. Firefly Version 8. http://classic.chem.msu.su/gran/firefly/index.html. Accessed 05 August 2019
10. Jacquemin D, Mennucci B, Adamo C (2011) Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments. Phys Chem Chem Phys 13:16987–1699810.1039/c1cp22144b ↗
11. Khlebtsov BN, Khlebtsov NG (2007) Multipole plasmons in metal nanorods: scaling properties and dependence on particle size, shape, orientation, and dielectric environment. J Phys Chem C 111:11516–1152710.1021/jp072707e ↗
12. Kittel C (1971) Introduction to solid-state physics. Wiley, New York
13. Kolb DM, Rotermund HH, Schrittenlacher W, Schroeder W (1984) Optical spectrum of matrix-isolated Cu2. J Chem Phys 80:695–70010.1063/1.446766 ↗
14. Lecoultre S, Rydlo A, Félix C, Buttet J, Gilb S, Harbich W (2011) Optical absorption of small copper clusters in neon: Cun, (n = 1–9). J Chem Phys 134:07430310.1063/1.3552077 ↗
15. Markin AV, Markina NE, Popp J, Cialla-May D (2018) Copper nanostructures for chemical analysis using surface-enhanced Raman spectroscopy. Trends Anal Chem 108:247–25910.1016/j.trac.2018.09.004 ↗
16. Morton SM, Silverstein DW, Jensen L (2011) Theoretical studies of plasmonics using electronic structure methods. Chem Rev 111:3962–399410.1021/cr100265f ↗
17. O’Boyle NM, Tenderholt AL, Langner KM (2008) Cclib: a library for package-independent computational chemistry algorithms. J Comput Chem 29:839–84510.1002/jcc.20823 ↗
18. Oh MK, Baik HJ, Kim SK, Park S (2011) Multiple surface plasmon resonances in silver and copper nanorods. J Mater Chem 21:1906910.1039/c1jm13613e ↗
19. Pastoriza-Santos I, Sánchez-Iglesias A, Rodríguez-González B, Liz-Marzán LM (2009) Aerobic synthesis of Cu nanoplates with intense plasmon resonances. Small 5:440–44310.1002/smll.200801088 ↗
20. Schider G, Krenn JR, Hohenau A, Ditlbacher H, Leitner A, Aussenegg FR, Schaich WL, Puscasu I, Monacelli B, Boreman G (2003) Plasmon dispersion relation of Au and Ag nanowires. Phys Rev B 68:15542710.1103/PhysRevB.68.155427 ↗
21. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA (1993) General atomic and molecular electronic structure system. J Comput Chem 14:1347–136310.1002/jcc.540141112 ↗
22. Sönnichsen C, Franzl T, Wilk T, von Plessen G, Feldmann J, Wilson O, Mulvaney P (2002) Drastic reduction of plasmon damping in gold nanorods. Phys Rev Lett 88:07740210.1103/PhysRevLett.88.077402 ↗
23. Wang H, Tam F, Grady NK, Halas NJ (2005) Cu nanoshells: effects of interband transitions on the nanoparticle plasmon resonance. J Phys Chem B 109:18218–1822210.1021/jp053863t ↗
24. Wu DY, Liu XM, Duan S, Xu X, Ren B, Lin SH, Tian ZQ (2008) Chemical enhancement effects in SERS spectra: a quantum chemical study of pyridine interacting with copper, silver, gold and platinum metals. J Phys Chem C 112:4195–420410.1021/jp0760962 ↗
25. Yan J, Gao S (2008) Plasmon resonances in linear atomic chains: free-electron behaviour and anisotropic screening of d electrons. Phys Rev B 78:23541310.1103/PhysRevB.78.235413 ↗
26. Yan J, Yuan Z, Gao S (2007) End and central plasmon resonances in linear atomic chains. Phys Rev Lett 98:21660210.1103/PhysRevLett.98.216602 ↗
27. Zong RL, Zhou J, Li B, Fu M, Shi SK, Li LT (2005) Optical properties of transparent copper nanorod and nanowire arrays embedded in anodic alumina oxide. J Chem Phys 123:09471010.1063/1.2018642 ↗