Cluster generation under pulsed laser ablation of zinc oxide

Bulgakov, Alexander V.; Evtushenko, Anton B.; Shukhov, Yuri G.; Ozerov, Igor; Marine, W.

doi:10.1007/s00339-010-5921-8

Cited by 19 publications

(19 citation statements)

References 24 publications

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“…Motivated by the success of our approach on neutral clusters, we decided to apply our method on ionized systems which have not yet been throughly explored in the past. Experimental mass spectrometric measurements are in general performed on ionized clusters 44,45 , but most theoretical studies only consider neutral systems due to the reduced computational cost. In fact, the study of charged clusters is also of importance in solids: when for example zinc oxide clusters are introduced into zeolite frameworks, they become positively charged, which causes a change in their structures 82 .…”

Section: Ionizedmentioning

confidence: 99%

“…Using CENT together with the minima hopping structure prediction method (MHM), we identified a new putative ground state structure for (ZnO) 32 . Since experimental mass spectrometric measurements are conducted on ionized clusters 44,45 , it is crucial to also study charged clusters (ZnO) + n from atomistic simulations. So far, no systematic structural searches have been reported in the literature, to the best of our knowledge, and all studies on (ZnO) + n have been carried out starting from structures found in neutral systems.…”

Section: Introductionmentioning

confidence: 99%

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Energy landscape of ZnO clusters and low-density polymorphs

et al. 2017

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We report on an extensive study of ZnO materials with cage-like motives in clusters and bulk phases through structural searches using the minima hopping method. A novel putative ground state was discovered for the (ZnO)32 cluster with a tube-like structure, closely related to the previously reported (ZnO)24 ground state cage geometry. Furthermore, the effect of ionization on the geometries and energetic ordering of (ZnO)n clusters with n = 3 − 10, 12 was studied by directly sampling the energy landscape of the ionized system. Our results indicate that the transition from ring and planar structures to 3D cages occurs at larger cluster sizes than in the neutral system. Inspired by the bottom-up design philosophy and the predominance of cage-like structures in medium-sized clusters, a search for crystalline ZnO was conducted aimed specifically at low density polymorphs, resulting in the discovery of 57 novel metastable phases. The voids in these low-density materials closely resemble the hollow cage structures of small (ZnO)n/(ZnO) + n clusters with n < 16. In analogy to clathrate materials, these voids could serve to accommodate guest atoms to tailor the materials properties for various applications.

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Section: Ionizedmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Energy landscape of ZnO clusters and low-density polymorphs

et al. 2017

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“…E a is positive for clusters that are stable with respect to the complete atomization. The magnitude of E a increases with increasing size ( α ), which reveals the possibility of larger clusters formation ( n : E a eV – 1 , 4.23; 2 , 5.32; 3 , 5.74; 4 , 5.85) . From the optimized parameters and binding energies, it is confirmed that the silver atom of AgO clusters prefers to bind through the azomethine nitrogen atom of imidazole (N site).…”

Section: Resultsmentioning

confidence: 80%

Study of interfacial charge transfer in nanosemiconductor–molecule composites

Jayabharathi

Prabhakaran

Karunakaran

et al. 2016

J of Physical Organic Chem

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Interaction of sol-gel synthesized Ce-Ag-codoped ZnO (CSZO) nanocrystals with (E)-1-(naphthalen-1-yl)-2-styryl-1Hphenanthro [9,10-d]imidazole has been analysed. The synthesized nanocrystals and their composites with naphthyl styryl phenanthrimidazole have been characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy, X-ray diffractometry, X-ray photoelectron spectroscopy (XPS) lifetime and Fourier transform infrared spectroscopy and cyclic voltammetry. XPS shows doped silver and cerium in Ag 0 and Ce 4+ states, respectively . SEM and TEM images of CSZO nanoparticles show that they appear to be 3D trapezoid and cocoon-like shape. The selected area electron diffraction pattern supports the nanocrystalline character of the synthesized material. The percentages of doping of cerium and silver in CSZO are 0.54 (at.) and 0.34 (at.), respectively. From the energy levels of the materials used in the imidazole-CSZO composite, the dominant CT direction has been analysed. Theoretical investigation shows that the binding energy and energy gap of the imidazole composites are highly dependent on the nature of the silver oxide cluster and that charge transfer in the imidazole-Ag 4 O 4 composite is faster than the same in other composites. Molecular docking technique has also been carried out to understand the imidazole-DNA interactions. Figure 7. (a) Lifetime spectra of NSPI and NSPI-Ce-Ag-ZnO composites. (b) Cyclic voltammogram of NSPI and NSPI-Ce-Ag-ZnO composite. (c) FT-IR spectra of NSPI, bare pristine ZnO and NSPI-Ce-Ag-ZnO composite INTERFACIAL CHARGE TRANSFER IN NANOSEMICONDUCTOR-MOLECULE COMPOSITES

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“…Nanocluster generation during PLD has been investigated until recently [ 24 ]. However, exact mechanism under ambient gas pressure has yet to be fully understood.…”

Section: Resultsmentioning

confidence: 99%

Room Temperature Deposition of Crystalline Nanoporous ZnO Nanostructures for Direct Use as Flexible DSSC Photoanode

et al. 2016

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A facile approach to fabricate dye-sensitized solar cells (DSSCs) is demonstrated by depositing (001) oriented zinc oxide (ZnO) nanostructures on both glass and flexible substrates at room temperature using pulsed laser deposition. Unique crystallographic characteristics of ZnO combined with highly non-equilibrium state of pulsed laser-induced ablated species enabled highly crystalline ZnO nanostructures without aid of any chemically induced additives or organic/inorganic impurities at room temperature. Film morphology as well as internal surface area is tailored by varying ambient oxygen pressure and deposition time. It is revealed that the optimization of these two experimental factors was essential for achieving structure providing large surface area as well as efficient charge collection. The DSSCs with optimized ZnO photoanodes showed overall efficiencies of 3.89 and 3.4 % on glass and polyethylene naphthalate substrates, respectively, under AM 1.5G light illumination. The high conversion efficiencies are attributed to elongated electron lifetime and enhanced electrolyte diffusion in the high crystalline ZnO nanostructures, verified by intensity-modulated voltage spectroscopy and electrochemical impedance measurements.Electronic supplementary materialThe online version of this article (doi:10.1186/s11671-016-1437-2) contains supplementary material, which is available to authorized users.

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Cluster generation under pulsed laser ablation of zinc oxide

Cited by 19 publications

References 24 publications

Energy landscape of ZnO clusters and low-density polymorphs

Energy landscape of ZnO clusters and low-density polymorphs

Study of interfacial charge transfer in nanosemiconductor–molecule composites

Room Temperature Deposition of Crystalline Nanoporous ZnO Nanostructures for Direct Use as Flexible DSSC Photoanode

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