Search results for "doping"

A rapid and eco-friendly route to synthesize graphene-doped silica nanohybrids

2016

International audience; In the present study, the possibility to synthesize graphene oxide (GO)-based nanohybrids with pure and O2-doped silica nanoparticles by a rapid and easy hydrothermal process has been explored. The nanohybrids were prepared by varying the type of silica nanoparticles (average diameter 7 nm or 40 nm) and the silica/GO weight ratio. All the materials were fully characterized by spectroscopic and morphological techniques.The experimental results revealed that it is possible to tune the characteristics of the obtained nanohybrids, such as morphology and amount of ester/ether linkages upon varying the preparation parameters, together with the nanosilica's typology and the…

Mg2-xTixNi (x=0, 0.5) alloys prepared by mechanical alloying for electrochemical hydrogen storage: Experiments and first-principles calculations

2012

International audience; Mg2-xTixNi (x = 0, 0.5) electrode alloys have been prepared by mechanical alloying (MA) under argon atmosphere at room temperature using a planetary high-energy ball mill. The microstructures of synthesized alloys are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The effects of substitutional doping of Ti in Mg2Ni phase have been investigated by first-principles density functional theory calculations. XRD analysis results indicate that Ti substitution for Mg in Mg2Ni-type alloys results in the formation of TiNi (Pm-3m) and TiNi3 intermetallics. With the increase of milling time, the TiNi phase…

Metal Doping of Au25(SR)18- Clusters : Insights and Hindsights

2019

The structure, properties, and applications of atomically precise gold nanoclusters are the object of active research worldwide. Over the last few years, research has been also focusing on selective doping of metal nanoclusters through introduction of foreign-metal atoms. Doping has been studied for several clusters, especially the atomically precise Au25(SR)18. Doping has been carried out with noble metals, such as platinum, and less noble metals, such as cadmium and mercury, also because of the ease by which monodoping can be achieved with these metals. Previous studies, which relied extensively on the use of mass spectrometry and single crystal X-ray crystallography, led to assign the sp…

Defect reactions of implanted Li in ZnSe observed by β-NMR

2001

Abstract Using β-radiation detected nuclear magnetic resonance (β-NMR), we investigated the microscopic behavior of implanted 8 Li in nominally undoped ZnSe crystals. From the temperature-dependent amplitudes of high-resolution NMR spectra we conclude a gradual interstitial-to-substitutional site change between 200 and 350 K . This is in accordance with earlier emission channeling results. We argue that this conversion proceeds via Lii++VZn2−→LiZn− and involves implantation related Zn vacancies.

Second- and third-harmonic generation as a local probe for nanocrystal-doped polymer materials with a suppressed optical breakdown threshold

2003

Abstract Second- and third-harmonic generation processes are shown to allow the detection of absorptive agglomerates of nanocrystals in transparent materials and the visualization of optical breakdown in nanocomposite materials. Correlations between laser-induced breakdown and the behavior of the second- and third-harmonic signals produced in SiC/PMMA nanocomposite films are studied. The potential of second- and third-harmonic generation for the on-line visualization of laser breakdown in nanocomposite polymer materials is revealed, with the ablative material removal being monitored by the decay of the second- and third-harmonic signals. The second and third harmonics generated around the o…

Doped 1D Nanostructures of Transition-metal Oxides: First-principles Evaluation of Photocatalytic Suitability

2016

ZnO Thin films doped with Erbium: Elaboration, Characterization and nonlinear optical properties measurements

2011

In this paper, we investigate NLO properties of ZnO nanostructures for optoelectronics applications. It is shown that carefully designed and fabricated nanostructured ZnO films posses some advantageous for practical use and to generate more and short wavelengths and, when combined with TiO , produce a core–shell structure that 2 reduces the combination rate. The limitations of ZnO-based DSCs are also discussed and several possible methods are suggested in order to expand the basic knowledge of ZnO to TiO , motivating further improvement 2 in the power-conversion efficiency of third harmonic generation THG.

A Novel Gas Sensor Transducer Based on Phthalocyanine Heterojunction Devices

2007

Abstract: Experimental data concerning the changes in the current-voltage (I-V) perfor-mances of a molecular material-based heterojunction consisting of hexadecafluorinated nickel phthalocyanine (Ni(F 16 Pc)) and nickel phthalocyanine (NiPc), (Au|Ni(F 16 Pc)|NiPc|Al) are introduced as an unprecedented principle of transduction for gas sensing performances. The respective n - and p -type doped-insulator behaviors of the respective materials are supported, owing to the observed changes in surface potential (using the Kelvin probe method) after submission to electron donor (ammonia) and electron acceptor gases (ozone). On the other hand, the bilayer device exhibits strong variations in the bui…

Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications

2021

This research was funded by the Latvian Council of Science grant LZP-2018/2-0083. Institute of Solid State Physics, University of Latvia, as the Center of Excellence, has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.

Ab initio calculations of doped TiO2 anatase (101) nanotubes for photocatalytical water splitting applications

2016

Abstract TiO 2 (titania) is one of the promising materials for photocatalytic applications. In this paper we report on recently obtained theoretical results for N and S doped, as well as N+S co-doped 6-layer (101) anatase nanotube (NT). First principles calculations in our study have been performed using a modified B3LYP hybrid exchange-correlation functional within density functional theory (DFT). Here we discuss the energy of defect formation mechanism and electronic band structure for nanotubes under study. We also report on influence of dopant concentration on the NT's band structure and discuss the defect–defect interactions.