Modified Scherrer Equation to Estimate More Accurately Nano-Crystallite Size Using XRD

Scherrer Equation, L=Kλ/β.cosθ, was developed in 1918, to calculate the nano crystallite size (L) by XRD radiation of wavelength λ (nm) from measuring full width at half maximum of peaks (β) in radian located at any 2θ in the pattern. Shape factor of K can be 0.62 - 2.08 and is usually taken as about 0.89. But, if all of the peaks of a pattern are going to give a similar value of L, then β.cosθ must be identical. This means that for a typical 5nm crystallite size and λ Cukα1 = 0.15405 nm the peak at 2θ = 170° must be more than ten times wide with respect to the peak at 2θ = 10°, which is never observed. The purpose of modified Scherrer equation given in this paper is to provide a new approach to the kind of using Scherrer equation, so that a least squares technique can be applied to minimize the sources of errors. Modified Scherrer equation plots lnβ against ln(1/cosθ) and obtains the intercept of a least squares line regression, ln=Kλ/L, from which a single value of L is obtained through all of the available peaks. This novel technique is used for a natural Hydroxyapatite (HA) of bovine bone fired at 600°C, 700°C, 900°C and 1100°C from which nano crystallite sizes of 22.8, 35.5, 37.3 and 38.1 nm were respectively obtained and 900°C was selected for biomaterials purposes. These results show that modified Scherrer equation method is promising in nano materials applications and can distinguish between 37.3 and 38.1 nm by using the data from all of the available peaks.

A METHOD OF PREPARING SPHERICAL NANO-CRYSTAL CELLULOSE WITH MIXED CRYSTALLINE FORMS OF CELLULOSE Ⅰ AND Ⅱ

A new kind of nano-crysta cellulose (NCC) prepared from natural cotton fiber has been obtained by the method ofacid hydrolysis. Compared to most other nanophase materials that derive from inorganic materials, our products are preparedfrom natural cotton fibers. The products are of spherical shape with mixed crystal forms of cellulose I and II. The preparationconditions determine the properties of the products. Prior treatment is a critical procedure. The properties of the products arealso strongly affected by such conditions as the kinds of acids used, the ratio of the acid mixture, the acid concentration, theultrasonic agitation time and hydrolysis temperature. The number average molecular weight of NCC is determined by gelpermeation chromatography (GPC). The particle size and shape were determined by transmission electron microscopy(TEM). X-ray diffraction was used to detect the crystallinity and average crystallite size of the panicle.

Effect of Anion Surface Active Agent on the Preparation of SrTiO_3 Nano-Crystals

SrTiO_3 nano-crystal samples with floccule or flake crystal morphology,which were indexed as a perovskite-type crystal structure based on the results of XRD and TEM,were successfully prepared by one-step liquid reaction method.And the growth mechanism of the SrTiO_3 nano-crystals under the liquid condition with/without adding the surface active agent was investigated.It was found that adding the surface active agent contributes to the processing in which the ions gathering bodies transit to a more stable phase through the chemical reaction and form the flake SrTiO_3 nano-crystals.

Krypton ion irradiation-induced amorphization and nano-crystal formation in pyrochlore Lu_2Ti_2O_7 at room temperature

Polycrystalline pyrochlore Lu2Ti2O7 pellets are irradiated with 600-keV Kr^3＋ions up to a fluence of 1.45 ×10^16Kr^3＋/cm^2. Irradiation induced structural modifications are examined by using grazing incidence x-ray diffraction（GIXRD） and cross-sectional transmission electron microscopy（TEM）. The GIXRD reveals that amorphous fraction increases with the increase of fluences up to 2 × 10^15Kr^3＋/cm^2, and the results are explained with a direct-impact model.However, when the irradiation fluence is higher than 2 × 10^15Kr^3＋/cm^2, the amorphous fraction reaches a saturation of-80%. Further TEM observations imply that nano-crystal is formed with a diameter of -10 nm within the irradiation layer at a fluence of 4 × 10^15Kr^3＋/cm^2. No full amorphization is achieved even at the highest fluence of 1.45 × 10^16Kr^3＋/cm^2（-36 displacement per atom）. The high irradiation resistance of pyrochlore Lu2Ti2O7 at higher fluence is explained on the basis of enhanced radiation tolerance of nano-crystal structure.

Up-conversion luminescence properties and energy transfer of Er^(3+)/Yb^(3+)co-doped oxyfluoride glass ceramic containing CaF_2 nano-crystals

The Er^3＋/yb^3＋ co-doped transparent oxyfluoride glass-ceramics containing CaF2 nano-crystals were successfully prepared. After heat treatments, transmission electron microscopy （TEM） images showed that CaF2 nano-crystals of 20-30 nm in diameter precipitated uniformly in the glass matrix. luminescence of Er^3＋ at 540 nm and 658 nm was observed in Comparing with the host glass, high efficiency upconversion the glass ceramics under the excitation of 980 nm. Moreover, the size of the precipitated nano-crystals can be controlled by heat-treatment temperature and time. With the increase of the nano-crystal size, the intensity of the red emission increased more rapidly than that of the green emission. The energy transfer process of Er^3＋ and Yb^3＋ was convinced and the possible mechanism of Er^3＋ up-conversion was discussed.

Characteristic Investigation of Nano-Crystal Hydrogen Storage Alloys

A Ml (NiCoMnA1)5 hydrogen storage alloys was prepared by double-roller rapid quenching.Its microstructure, electrochemically and kinetic characteristic were studied.A uniform crystal phase with CaCu5 structure could be detected by XRD analyses, whose average grain size is 30 ～ 50 nm and the ratio of c/a of nano-crystal hydrogen storage alloy is larger.The hydrogen absorption/desertion p - C isotherms of alloy show that its fiat-performance is perfect and the magnetic stagnant effect is very little.An simulate cell is used for electrochemical measurement.Electrode is 10C, the capacity decreasing rate via the 450 cycles at 7C is less than 20%.

The Transmission Modes and Losses of the Poled Nano-crystal and Polymer Composite PbTiO_3 / PEK-c Thin-film Waveguides

Composite thin films of PbTiO3 nano-crystals and high transparency polymer polyetherketone （PEK-c） for application of non-linear optical devices were prepared by spin coating. The size of PbTiO3 nano-crystals was estimated to be 30-40 nm using a transmission electron microscope. The refractive index and the mode propagation losses at 633 nm were measured using the prism coupling technique and improved photographic technique respectively. They were found to be 1.6545 and 2.00 dB cm^-1 （fundamental mode）,respectively. Moreover, it is observed that this loss is increased at higher mode indices.

Determination of the Nucleation Region Location of Si Nano-Crystal Grains Prepared by Pulsed Laser Ablation through Changing Position of Substrates

To determine the nucleation region location of Si nano-crystal grains, pulsed laser ablation of Si target is performed in Ar gas of 10 Pa at room temperature with laser fluence of 4 J/cm2, the substrates are located horizontal under ablation spot with different vertical distance. Characteristics of deposited grains are described by scanning electron microscopy, Raman scattering and X-ray diffraction spectra, the results indicate that deposition position on substrates in a certain range is relative to target surface, which changes according to different vertical distance of substrates to ablation spot. Grain size increased?at first and then decreased with addition of lateral distances to target in the range, but the integral distribution rule was independent of position of substrates. Combining with hydrodynamics model, nucleation division model, thermokinetic equation and flat parabolic motion, spatial nucleation region location of grains is obtained through numerical calculations, which is 2.7 mm-43.2 mm to target surface along the plume axis.

Fabrication and Characteristics of Nano-Floating Gate Memories with ZnO Nano-Crystals as Charge-Storage Layer

Nano-floating gate memory devices with ZnO nano-crystals as charge storage layers are fabricated,and the influence of post-deposition annealing temperature and thickness of the ZnO layer are investigated.Atomic force microscopy and scanning electron microscopy reveal the morphology of discrete ZnO nano-crystals.For capacitance-voltage measurements,it is found that the memory device with 1.5 nm ZnO and annealed at 700℃shows a larger memory window of 4.3 V（at±6 V）and better retention characteristics than memoriy devices with2.5 nm ZnO or annealed at other temperatures.These results indicate that the nano-floating gate memory with ZnO nano-crystals can obtain good trade-off memory properties.

A novel synthesis method and up-conversion properties of hexagonal-phase NaYF_4:Er nano-crystals

A novel synthesis method for hexagonal （]3）ophase NaYF4：Er nano-crystals （NCs） which showed up-conversion （UC） from infrared to visible spectral region was developed. The NaYF4：Er NCs were synthesized in oleie acid （OA） and 1-0ctadeeene （ODE） with Y2（COa）3＇xH20, Er2（COa）3xH20, Na2CO3 and NH4F as precursors. This proposed method was simple and less toxic compared with generally used method so far. The XRD results showed that the molar ratio of OA/ODE and the temperature were key factors for phase control ofNaYF4：Er NCs. The UC emission spectra were obtained with the emission wavelength at about 980 nm （4111/2--4115/2）, 800 nm （41912--415/2）, 660 nm （4F912--4115/2） and 540 nm （453/2----4115/2） from Er3＋ ions, by excitation wavelength of 1550 nm. The slope values, n, in the pump-power dependence, showed that the emission at 980 and 800 um were generated by 2-step UC and at 660 nm and 540 um were 3-step UC. The optical process for the UC excitation was discussed.

Grain evolution of nano-crystals ZnO under HP and HT

Grain evolution of nano-crystals ZnO under high temperature and pressure is studied using a cubic high pressure apparatus. The structure, grain sizes and morphology of the samples are characterized by X-ray diffraction and field emission scanning electron microscopy. The results show that the grain sizes of ZnO grow rapidly at temperature 200℃ under pressure. At temperature lower than 300 ℃ (including 300 ℃), the grain sizes of the samples first increase with the pressure increasing from 1 to 3 GPa and later de- crease from 4 to 6 GPa. The activation volume from 1 to 3 GPa and from 4 to 6 GPa is calculated respectively using the phenomenological kinetic grain growth equation at temperature 300 ℃. At temperature higher than 400℃ (including 400 ℃), the grain sizes of the samples increase with the pressure increasing from 1 to 6 GPa. ZnO nano-bulks with good quality can be obtained under the specific conditions.

Structural and mechanical properties of nano-crystal TiN coatings

The structural and mechanical properties of TiN coatings prepared by ion beam assisted deposition (IBAD) were studied. The coatings have a polycrystal structure with grain size of ～10 nm or less. The hardness of the coatings increases with increasing grain size of TiN crystallites. The coating with grain size of 10.3 nm even has a superhardness of 44.7GPa. The relationship between the hardness and the grain size in the nano-crystalline coatings was discussed on the basis of grain-boundary triple junctions.

A novel 2 T P-channel nano-crystal memory for low power/high speed embedded NVM applications

We introduce a novel 2 T P-channel nano-crystal memory structure for low power and high speed embedded non-volatile memory（NVM） applications.By using the band-to-band tunneling-induced hot-electron （BTBTIHE） injection scheme,both high-speed and low power programming can be achieved at the same time. Due to the use of a select transistor,the ＂erased states＂ can be set to below 0 V,so that the periphery HV circuit （high-voltage generating and management） and read-out circuit can be simplified.Good memory cell performance has also been achieved,including a fast program/erase（P/E） speed（a 1.15 V memory window under 10μs program pulse）,an excellent data retention（only 20%charge loss for 10 years）.The data shows that the device has strong potential for future embedded NVM applications.

Preparation and luminescence properties of BaWO_4:Yb^(3+)/Tm^(3+) nano-crystal

This research investigated the effect of different contents of Tm3＋ and different concentration ratios of Yb/Tm on the lumi- nescent properties of BaWO4：yb3＋/Tm3＋ nano-crystal synthesized by the hydrothermal method. The results indicated that lumines- cence intensity reached the strongest when CTm=1.0 mol.% and Cyb/CTm=2：1. X-ray diffraction revealed the tetragonal system of BaWO4：Yb3＋/Tm3＋ and the grain sizes were between 31 and 45 nm according to Scherrer equation. The results of X-ray diffraction and scanning electron microscopy were similar. Four emission peaks at 454, 475, 647 and 790 nm including two blue emission peaks and two red emission peaks, corresponding to ID2→3F4, 1G4→3H6, IG4→3F4 and 3H4→3H6 transitions of Tm3＋, were observed under excitation of 980 nm semiconductor laser. Blue emissions at 454 and 475 um were four-photon and three-photon absorption respec- tively in accordance with the relationship between luminescence intensity and pump power.

Improving the colloidal stability of Cellulose nano-crystals by surface chemical grafting with polyacrylic acid

Cellulose nano-crystals(CNC)can be tailored for various value-added applications.However,its use in aqueous systems is hampered by its limited dispersability,especially at a high CNC concentration.In this study,the improvement of CNC colloidal stability by surface chemical grafting with polyacrylic acid(PAA)was investigated,and the zeta potential and the charge density of the chemically modified CNC were analyzed.The results showed that an acrylic dosage of 1%(based on the dry weight of CNC)was sufficient to significantly enhance the colloidal stability.CNC,after chemical grafting with PAA,showed better stability against the increase in storage time or solid content of the aqueous medium,compared with the un-modified CNC.

SYNTHESIS OF Ni-Mo ALLOYS BY MECHANICAL ALLOYING

Ni_(100-x)Mo_x(x=20,30,38)alloys have been synthesized by mechanical alloying.The structure evolution of powders in mechanical alloying process has been monitored by X-ray diffraction,scanning electron microscopy and transmission electron microscopy analyses.The results show that the Ni_(62)Mo_(38)sample becomes partially amorphous after high energy ball milling,while the Ni_(80)Mo_(20)and Ni_(70)Mo_(30)become non-equilibrium nanocrystals.

<i>Ab Initio</i>Molecular Orbital Calculation for Optical and Electronic Properties Evaluation of Small and Medium Size Silicon Nano-Clusters Found in Silicon Rich Oxide Films

In systems in atomic and nano scales such as clusters or agglomerates constituted of particles from a few to less than one hundred of atoms, quantum confinement effects are very important. Their optical and electronic properties are often dependent on the size of the systems and the way in which the atoms in these clusters are bonded. Generally, these nano-structures display optical and electronic properties significantly different of those found in corresponding bulk materials. Silicon agglomerates found in Silicon Rich Oxide (SRO) films have optical properties, which have reported as depended directly on nano-crystal size. Furthermore, the room temperature photoluminescence (PL) of Silicon Rich Oxides (SRO) has repeatedly generated a huge interest due to their possible applications in optoelectronic devices. However, a plausible emission mechanism has not yet widespread acceptance of the scientific community. In this research, we employed the Density Functional Theory with a functional B3LYP and a basis set 6 - 31G* to calculate the optical and electronic properties of small (six to ten silicon atoms) and medium size clusters of silicon (constituted of eleven to fourteen silicon atoms). With the theoretical calculation of the structural and optical properties of silicon clusters, it is possible to evaluate the contribution of silicon agglomerates in the luminescent emission mechanism experimentally found in thin SRO films.

Blue–green color-tunable emissions in novel transparent Sr2LuF7:Eu/Tb glass-ceramics for WLEDs

To introduce ordered nano-structures inside a transparent amorphous matrix with superior optical and mechanical properties bears scientific and technological importance,yet limited success has been achieved.Here,via simple melting-quenching and subsequent thermal activation,we report the successful preparation of transparent nano-structured glass-ceramics embedded in Sr2Lu F7 nano-crystals(~26 nm),as evidenced by X-ray diffraction,transmission electron microscopy(TEM),and high resolution TEM.The successful incorporation of dopants into formed Sr2Lu F7 nano-crystals with low phonon energy results in highly tunable blue–green photoemission,which depends on excitation wavelength,dopant type,and temperature.We found that Eu3+and Eu2+ions co-exist in this hybrid optical material,accompanied by the broadband blue emission of Eu2+and sharp red emissions of Eu3+.A series of optical characterizations are summoned,including emission/excitation spectrum and decay curve measurement,to reveal the reduction mechanism of Eu3+to Eu2+.Furthermore,near green–white photoemission is achieved via the enrichment of Tb3+/Eu3+into crystallized Sr2Lu F7 nano-crystals.The temperature-dependent visible photoemission reveals thermal activation energy increases with the precipitation of Sr2Lu F7 nano-crystals in a glass matrix,suggesting better thermal stability of glass-ceramics than precursor glasses.These results could not only deepen the understanding of glass-ceramics but also indicate the promising potential of Eu3+/Tb3+-ions-doped Sr2Lu F7 glass-ceramics for UV pumped white light emitting diodes(WLEDs)with good thermal stability.

High-yield synthesis and liquid-exfoliation of two- dimensional belt-like hafnium disulphide

Producing environmentally stable monolayers and few-layers of hafnium disulphide （HfS2） with a high yield to reveal its unlocked electronic and optoelectronic applications is still a challenge. HfS2 is a layered two-dimensional material of group-IV transition metal dichalcogenides. For the first time, we demonstrate a simple and cost-effective method to grow layered belt-like nanocrystals of HfS2 with a notably large interlayer spacing followed by their chemical exfoliation. Various microscopic and spectroscopic techniques confirm that these as-grown crystals exfoliate into single or multiple layers in a few minutes using solvent assisted ultrasonification method in N-cyclohexyl-2- pyrrolidone. The exfoliated nanosheets of HfS2 exhibit an indirect bandgap of 1.3 eV with high stability against surface degradation. Furthermore, we demonstrate that these nanosheets hold potential for electronic applications by fabricating a field-effect transistor based on few-layered HfS2, exhibiting a field-effect mobility of 0.95 cm2/（V.s） with a high on/off current modulation ratio of 10,000 in ambient conditions. The method is scalable and has a potential significance for both academic and industrial purposes.