Crystal Truncation Rod Measurements from Buried Quantum Dots

2003 ◽  
Vol 10 (02n03) ◽  
pp. 525-531 ◽  
Author(s):  
J. L. Rawle ◽  
P. B. Howes ◽  
S. G. Alcock
Keyword(s):  
Experimental Data ◽  
Quantum Dots ◽  
Diffuse Scattering ◽  
Bulk Crystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Energy Minimisation ◽  
Crystal Truncation Rod

We present a method of modelling the X-ray diffraction (XRD) from buried quantum dots (QDs). Both diffuse scattering and crystal truncation rods can be modelled by calculating the scattering atomistically and adding a contribution from the bulk crystal. Because there are a large number of atoms, their positions cannot be fitted independently and Keating energy minimisation is used to ensure that the strain is physically realistic. Calculated scattering is compared with experimental data, and some of the challenges presented by real QDs are considered.

X-ray diffraction study of a Si Σ13 symmetric tilt grain boundary

2010 ◽  
Vol 1 (SRMS-7) ◽  
Author(s):  
S. D. Rhead ◽  
P. B. Howes ◽  
M. Roy ◽  
J. L. Rawle ◽  
C. Nicklin ◽  
...  
Keyword(s):  
Experimental Data ◽  
Grain Boundary ◽  
Diffraction Study ◽  
Light Source ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Truncation Rod ◽  
Symmetric Tilt ◽  
Tilt Grain Boundary

We present an X-ray diffraction study of a semiconductor symmetric tilt grain boundary. The theory of crystal truncation rod scattering is extended to bicrystal interfaces and compared with experimental data measured at the Diamond Light Source.

scholarly journals Zeolite NaP1 Functionalization for the Sorption of Metal Complexes with Biodegradable N-(1,2-dicarboxyethyl)-D,L-aspartic Acid

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2518
Author(s):  
Dorota Kołodyńska ◽  
Yongming Ju ◽  
Małgorzata Franus ◽  
Wojciech Franus
Keyword(s):  
Experimental Data ◽  
Aspartic Acid ◽  
Ph Value ◽  
Complexing Agents ◽  
X Ray Diffraction ◽  
Experimental Conditions ◽  
Modified Zeolite ◽  
X Ray ◽  
Slow Release Fertilizers ◽  
Pseudo Second Order

The possibility of application of chitosan-modified zeolite as sorbent for Cu(II), Zn(II), Mn(II), and Fe(III) ions and their mixtures in the presence of N-(1,2-dicarboxyethyl)-D,L-aspartic acid, IDHA) under different experimental conditions were investigated. Chitosan-modified zeolite belongs to the group of biodegradable complexing agents used in fertilizer production. NaP1CS as a carrier forms a barrier to the spontaneous release of the fertilizer into soil. The obtained materials were characterized by Fourier transform infrared spectroscopy (FTIR); surface area determination (ASAP); scanning electron microscopy (SEM-EDS); X-ray fluorescence (XRF); X-ray diffraction (XRD); and carbon, hydrogen, and nitrogen (CHN), as well as thermogravimetric (TGA) methods. The concentrations of Cu(II), Zn(II), Mn(II), and Fe(III) complexes with IDHA varied from 5–20 mg/dm3 for Cu(II), 10–40 mg/dm3 for Fe(III), 20–80 mg/dm3 for Mn(II), and 10–40 mg/dm3 for Zn(II), respectively; pH value (3–6), time (1–120 min), and temperature (293–333 K) on the sorption efficiency were tested. The Langmuir, Freundlich, Dubinin–Radushkevich, and Temkin adsorption models were applied to describe experimental data. The pH 5 proved to be appropriate for adsorption. The pseudo-second order and Langmuir models were consistent with the experimental data. The thermodynamic parameters indicate that adsorption is spontaneous and endothermic. The highest desorption percentage was achieved using the HCl solution, therefore, proving that method can be used to design slow-release fertilizers.

scholarly journals Observation of ordered organic capping ligands on semiconducting quantum dots via powder X-ray diffraction

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jason J. Calvin ◽  
Tierni M. Kaufman ◽  
Adam B. Sedlak ◽  
Michelle F. Crook ◽  
A. Paul Alivisatos
Keyword(s):  
Quantum Dots ◽  
Colloidal System ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ligand Shell ◽  
Scattering Factor ◽  
Organic Capping ◽  
Capping Ligands ◽  
Key Techniques ◽  
Inorganic Structure

AbstractPowder X-ray diffraction is one of the key techniques used to characterize the inorganic structure of colloidal nanocrystals. The comparatively low scattering factor of nuclei of the organic capping ligands and their propensity to be disordered has led investigators to typically consider them effectively invisible to this technique. In this report, we demonstrate that a commonly observed powder X-ray diffraction peak around $$q=1.4{\AA}^{-1}$$ q = 1.4 Å − 1 observed in many small, colloidal quantum dots can be assigned to well-ordered aliphatic ligands bound to and capping the nanocrystals. This conclusion differs from a variety of explanations ascribed by previous sources, the majority of which propose an excess of organic material. Additionally, we demonstrate that the observed ligand peak is a sensitive probe of ligand shell ordering. Changes as a function of ligand length, geometry, and temperature can all be readily observed by X-ray diffraction and manipulated to achieve desired outcomes for the final colloidal system.

scholarly journals Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal

IUCrJ ◽  
2016 ◽  
Vol 3 (4) ◽  
pp. 247-258 ◽  
Author(s):  
Tsunetomo Yamada ◽  
Hiroyuki Takakura ◽  
Holger Euchner ◽  
Cesar Pay Gómez ◽  
Alexei Bosak ◽  
...  
Keyword(s):  
Atomic Structure ◽  
Diffuse Scattering ◽  
Waller Factor ◽  
Close Packing ◽  
Icosahedral Quasicrystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Large Atom ◽  
Debye Waller Factor ◽  
The Difference

The detailed atomic structure of the binary icosahedral (i) ScZn7.33quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP), both resulting from a close-packing of a large (Sc) and a small (Zn) atom. The difference in chemical composition between i-ScZn7.33and i-YbCd5.7was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constantsK2/K1= −0.53,i.e.close to a threefold instability limit. This induces a relatively large perpendicular (or phason) Debye–Waller factor, which explains the vanishing of `high-Qperp' reflections.

scholarly journals The Use of Connected Masks for Reconstructing the Single Particle Image from X-Ray Diffraction Data. II. The Dependence of the Accuracy of the Solution on the Sampling Step of Experimental Data

2015 ◽  
Vol 10 (2) ◽  
pp. 508-525 ◽  
Author(s):  
Н.Л. Лунина ◽  
N.L. Lunina
Keyword(s):  
Experimental Data ◽  
Particle Image ◽  
Expected Improvement ◽  
Problem Solution ◽  
Phase Problem ◽  
X Ray Diffraction ◽  
Sampling Step ◽  
X Ray ◽  
X Ray Crystallography ◽  
Grid Points

Advances in the methodology of the X-ray diffraction experiments leads to a possibility to register the rays scattered by large isolated biological particles (viruses and individual cells) but not only by crystalline samples. The experiment with an isolated particle provides researchers with the intensities of the scattered rays for the continuous spectrum of scattering vectors. Such experiment gives much more experimental data than an experiment with a crystalline sample where the information is limited to a set of Bragg reflections. This opens up additional opportunities in solving underlying problem of X-ray crystallography, namely, calculating phase values for the scattered waves needed to restore the structure of the object under study. In practice, the original continuous diffraction pattern is sampled, reduced to the values at grid points in the space of scattering vectors (in the reciprocal space). The sampling step determines the amount of the information involved in solving the phase problem and the complexity of the necessary calculations. In this paper, we investigate the effect of the sampling step on the accuracy of the phase problem solution obtained by the method proposed earlier by the authors. It is shown that an expected improvement of the accuracy of the solution with the reducing the sampling step continues even after crossing the Nyquist limit defined as the inverse of the double size of the object under study.

Diffuse x-ray scattering from InGaAs/GaAs quantum dots

2003 ◽  
Vol 799 ◽  
Author(s):  
Rolf Köhler ◽  
Daniil Grigoriev ◽  
Michael Hanke ◽  
Martin Schmidbauer ◽  
Peter Schäfer ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Synchrotron Radiation ◽  
Diffuse Scattering ◽  
Data Evaluation ◽  
X Ray ◽  
X Ray Scattering ◽  
Gaas Matrix ◽  
Wetting Layers ◽  
Ray Scattering

ABSTRACTMulti-fold stacks of In0.6Ga0.4As quantum dots embedded into a GaAs matrix were investigated by means of x-ray diffuse scattering. The measurements were done with synchrotron radiation using different diffraction geometries. Data evaluation was based on comparison with simulated distributions of x-ray diffuse scattering. For the samples under consideration ((001) surface) there is no difference in dot extension along [110] and [-110] and no directional ordering. The measurements easily allow the determination of the average indium amount in the wetting layers. Data evaluation by simulation of x-ray diffuse scattering gives an increase of Incontent from the dot bottom to the dot top.

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