High-throughput screening of combinatorial materials libraries by high-energy x-ray diffraction

2007 ◽  
Vol 91 (7) ◽  
pp. 071916 ◽  
Author(s):  
Dmitry A. Kukuruznyak ◽  
Harald Reichert ◽  
John Okasinski ◽  
Helmut Dosch ◽  
Toyohiro Chikyow ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
High Energy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Combinatorial Materials

High Throughput Screening of the Sensing Properties of Doped SmFeO3

2007 ◽  
Vol 128 ◽  
pp. 225-236 ◽  
Author(s):  
Maike Siemons ◽  
Ulrich Simon
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Gas Sensing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Sensing Properties ◽  
Structure And Morphology ◽  
P Type ◽  
Cr Doping ◽  
Scanning Electron

p-type semiconducting perovskites Sm1-xAxFe1-yByO3 (A=La, Sr, x=0, 10, 20 at%, B=Cr, Co, Mn, y=0, 10, 20 at%) were synthesised via the polyol method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to confirm the structure and morphology of the materials. Thick films of the materials prepared together with surface doped SmFeO3 (with Au, Ce, Ir, Pd, Pt, Rh, Ru) samples were electrically characterised using high throughput impedance spectroscopy (HT-IS). The gas sensing behaviour was tested at temperatures ranging from 200 to 500°C. For La and Cr doping a model describing a correlation between the (M-O) binding energy and the sensing properties was verified.

scholarly journals High energy x-ray diffraction/x-ray fluorescence spectroscopy for high-throughput analysis of composition spread thin films

2009 ◽  
Vol 80 (12) ◽  
pp. 123905 ◽  
Author(s):  
John M. Gregoire ◽  
Darren Dale ◽  
Alexander Kazimirov ◽  
Francis J. DiSalvo ◽  
R. Bruce van Dover
Keyword(s):  
Thin Films ◽  
Fluorescence Spectroscopy ◽  
High Throughput ◽  
High Energy ◽  
X Ray Diffraction ◽  
High Throughput Analysis ◽  
Throughput Analysis ◽  
X Ray

High Throughput Synthesis of Pigments by Solution Deposition

2004 ◽  
Vol 848 ◽  
Author(s):  
Stuart J. Henderson ◽  
Andrew L. Hector ◽  
Mark T. Weller
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Parallel Synthesis ◽  
Inorganic Materials ◽  
X Ray Diffraction ◽  
Solution Deposition ◽  
X Ray ◽  
Effective Strategies ◽  
Simultaneous Synthesis ◽  
Composition Structure

ABSTRACTCombinatorial and high throughput methods have been utilised in the pharmaceutical industry for many years. The process involves the simultaneous synthesis of libraries containing thousands of compounds, which can then be screened for desirable properties. More recently the concepts of parallel synthesis and high-throughput screening have emerged as effective strategies in the search for novel inorganic materials. We report the development of high throughput methods, which have been used for the synthesis and preliminary characterisation of ceramic oxide pigments on an alumina substrate. This methodology has been utilised to prepare compounds with the spinel structure in the series Cu1-xZnxAl2-yCryO4 (0≤x≤1, 0≤y≤2) at a range of temperatures. The materials are analysed by rapid sequential X-ray diffraction and a simple colour measurement technique. The optical properties across the quaternary landscape can therefore be mapped as a function of composition, structure and annealing temperature.

Characterizations of Synthetic 8mol% YSZ with Comparison to 3mol %YSZ for HT-SOFC

2020 ◽  
Vol 38 (4A) ◽  
pp. 491-500
Author(s):  
Abeer F. Al-Attar ◽  
Saad B. H. Farid ◽  
Fadhil A. Hashim
Keyword(s):  
Ionic Conductivity ◽  
Electrochemical Impedance ◽  
Structural Information ◽  
Impedance Analysis ◽  
High Energy ◽  
Yttria Stabilized Zirconia ◽  
X Ray Diffraction ◽  
Stabilized Zirconia ◽  
Powder Morphology ◽  
X Ray

In this work, Yttria (Y2O3) was successfully doped into tetragonal 3mol% yttria stabilized Zirconia (3YSZ) by high energy-mechanical milling to synthesize 8mol% yttria stabilized Zirconia (8YSZ) used as an electrolyte for high temperature solid oxide fuel cells (HT-SOFC). This work aims to evaluate the densification and ionic conductivity of the sintered electrolytes at 1650°C. The bulk density was measured according to ASTM C373-17. The powder morphology and the microstructure of the sintered electrolytes were analyzed via Field Emission Scanning Electron Microscopy (FESEM). The chemical analysis was obtained with Energy-dispersive X-ray spectroscopy (EDS). Also, X-ray diffraction (XRD) was used to obtain structural information of the starting materials and the sintered electrolytes. The ionic conductivity was obtained through electrochemical impedance spectroscopy (EIS) in the air as a function of temperatures at a frequency range of 100(mHz)-100(kHz). It is found that the 3YSZ has a higher density than the 8YSZ. The impedance analysis showed that the ionic conductivity of the prepared 8YSZ at 800°C is0.906 (S.cm) and it was 0.214(S.cm) of the 3YSZ. Besides, 8YSZ has a lower activation energy 0.774(eV) than that of the 3YSZ 0.901(eV). Thus, the prepared 8YSZ can be nominated as an electrolyte for the HT-SOFC.

scholarly journals In-Situ High-Energy X-ray Diffraction Study of Austenite Decomposition During Rapid Cooling and Isothermal Holding in Two HSLA Steels

2021 ◽  
Vol 52 (5) ◽  
pp. 1812-1825
Author(s):  
Sen Lin ◽  
Ulrika Borggren ◽  
Andreas Stark ◽  
Annika Borgenstam ◽  
Wangzhong Mu ◽  
...  
Keyword(s):  
Isothermal Holding ◽  
Weight Percent ◽  
High Energy ◽  
Decomposition Kinetics ◽  
Bainitic Transformation ◽  
Austenite Decomposition ◽  
X Ray Diffraction ◽  
Rapid Cooling ◽  
X Ray

AbstractIn-situ high-energy X-ray diffraction experiments with high temporal resolution during rapid cooling (280 °C s−1) and isothermal heat treatments (at 450 °C, 500 °C, and 550 °C for 30 minutes) were performed to study austenite decomposition in two commercial high-strength low-alloy steels. The rapid phase transformations occurring in these types of steels are investigated for the first time in-situ, aiding a detailed analysis of the austenite decomposition kinetics. For the low hardenability steel with main composition Fe-0.08C-1.7Mn-0.403Si-0.303Cr in weight percent, austenite decomposition to polygonal ferrite and bainite occurs already during the initial cooling. However, for the high hardenability steel with main composition Fe-0.08C-1.79Mn-0.182Si-0.757Cr-0.094Mo in weight percent, the austenite decomposition kinetics is retarded, chiefly by the Mo addition, and therefore mainly bainitic transformation occurs during isothermal holding; the bainitic transformation rate at the isothermal holding is clearly enhanced by lowered temperature from 550 °C to 500 °C and 450 °C. During prolonged isothermal holding, carbide formation leads to decreased austenite carbon content and promotes continued bainitic ferrite formation. Moreover, at prolonged isothermal holding at higher temperatures some degenerate pearlite form.

scholarly journals Searching novel complex solid solution electrocatalysts in unconventional element combinations

Nano Research ◽  
2021 ◽  
Author(s):  
Olga A. Krysiak ◽  
Simon Schumacher ◽  
Alan Savan ◽  
Wolfgang Schuhmann ◽  
Alfred Ludwig ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Active Sites ◽  
Search Space ◽  
Reduction Reaction ◽  
Film Material ◽  
X Ray ◽  
High Entropy ◽  
Catalyst Composition ◽  
Scanning Transmission

AbstractDespite outstanding accomplishments in catalyst discovery, finding new, more efficient, environmentally neutral, and noble metal-free catalysts remains challenging and unsolved. Recently, complex solid solutions consisting of at least five different elements and often named as high-entropy alloys have emerged as a new class of electrocatalysts for a variety of reactions. The multicomponent combinations of elements facilitate tuning of active sites and catalytic properties. Predicting optimal catalyst composition remains difficult, making testing of a very high number of them indispensable. We present the high-throughput screening of the electrochemical activity of thin film material libraries prepared by combinatorial co-sputtering of metals which are commonly used in catalysis (Pd, Cu, Ni) combined with metals which are not commonly used in catalysis (Ti, Hf, Zr). Introducing unusual elements in the search space allows discovery of catalytic activity for hitherto unknown compositions. Material libraries with very similar composition spreads can show different activities vs. composition trends for different reactions. In order to address the inherent challenge of the huge combinatorial material space and the inability to predict active electrocatalyst compositions, we developed a high-throughput process based on co-sputtered material libraries, and performed high-throughput characterization using energy dispersive X-ray spectroscopy (EDS), scanning transmission electron microscopy (SEM), X-ray diffraction (XRD) and conductivity measurements followed by electrochemical screening by means of a scanning droplet cell. The results show surprising material compositions with increased activity for the oxygen reduction reaction and the hydrogen evolution reaction. Such data are important input data for future data-driven materials prediction.

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