The Rapid Discovery of Novel Dielectric and Magnetic Ceramics, and Structure-Property Relationships, through Combinatorial High Throughput Methods

2012 ◽  
Vol 2012 (CICMT) ◽  
pp. 000650-000657
Author(s):  
Robert C. Pullar

Combinatorial Materials Science is the rapid synthesis and analysis of large numbers of compositions in parallel, created through many combinations of a small number of starting materials. The various samples are synthesised in a single piece, or on a single substrate, called a “library”. To date, most Materials Science combinatorial high throughput methods use deposited thin films. However, for many ceramic interconnect applications, bulk or thick film ceramics are required. It could also be argued that bulk properties are much more relevant than those of thin films when constructing large structure-property data bases, for data mining and prediction of novel compositions. Strain and skin effects in thin films often cause major discrepancies, e.g. ferroelectric measurements, changes in lattice parameters. Also, many thin films are epitaxial or single crystal, and hence have no grain boundaries, which can have a large effect on properties. At Aveiro we are developing novel methods of processing and analysing multiple combinatorial high throughput thick film or bulk ceramic libraries, as a series of compositional and functional steps. These can be produced with or without a supporting substrate. As well as composition, effects of variation in processing parameters such as firing temperature, time, atmosphere, substrate / electrode reactions, etc. can also be investigated. The structure-property relationships of dielectric, magnetic, and particularly magnetoelectric / multiferroic ceramics, are highly complex and difficult to predict, and therefore combinatorial searching could be an essential tool. As well as accelerating discovery, the amount of quantitative data produced will enable accurate predictions for multifunctional materials.

MRS Bulletin ◽  
2002 ◽  
Vol 27 (4) ◽  
pp. 295-300 ◽  
Author(s):  
Eric J. Amis ◽  
Xiao-Dong Xiang ◽  
Ji-Cheng Zhao

AbstractCombinatorial methods are high-efficiency methods to create large composition “libraries” of materials, for example, continuous composition variations, and test those compositions systematically in parallel for specific properties of interest, in contrast to the time-consuming one-composition-at-a-time approach. These methods have captured the attention of the materials industry with the promise of providing new discoveries “faster, better, and cheaper.” However, in the academic community, combinatorial methods often meet with less enthusiasm, perhaps due to the perception of combinatorial methodology as an Edisonian approach to science. The facts are quite to the contrary. In addition to impressive successes arising from the application of combinatorial methods to materials discovery, results coming out of systematic high-throughput investigations of complex materials phenomena (which would be too time-consuming or expensive to undertake) provide data leading to improvement in theories and models of materials chemistry and physics. Indeed, combinatorial methods provide a new paradigm for advancing a central scientific goal—the fundamental understanding of structure–property relationships of materials behavior.


2014 ◽  
Vol 1654 ◽  
Author(s):  
J. M. Gregoire ◽  
J. A. Haber ◽  
S. Mitrovic ◽  
C. Xiang ◽  
S. Suram ◽  
...  

ABSTRACTThe High Throughput Experimentation (HTE) project of the Joint Center for Artificial Photosynthesis (JCAP, http://solarfuelshub.org/) performs accelerated discovery of new earth-abundant photoabsorbers and electrocatalysts. Through collaboration within the DOE solar fuels hub and with the broader research community, the new materials will be utilized in devices that efficiently convert solar energy, water and carbon dioxide into transportation fuels. JCAP-HTE builds high-throughput pipelines for the synthesis, screening and characterization of photoelectrochemical materials. In addition to a summary of these pipelines, we will describe several new screening instruments for high throughput (photo-)electrochemical measurements. These instruments are not only optimized for screening against solar fuels requirements, but also provide new tools for the broader combinatorial materials science community. We will also describe the high throughput discovery, follow-on verification, and device implementation of a new quaternary metal oxide catalyst. This rapid technology development from discovery to device implementation is a hallmark of the multi-faceted JCAP research effort.


2020 ◽  
Vol 4 (11) ◽  
pp. 5513-5521 ◽  
Author(s):  
Carlos de la Cruz ◽  
Antonio Molina ◽  
Nagaraj Patil ◽  
Edgar Ventosa ◽  
Rebeca Marcilla ◽  
...  

DFT calculations reveal interesting structure–property relationships of the redox potentials of phenazines in non-aqueous media.


Author(s):  
C. J. Brinker ◽  
N. K. Raman ◽  
M. N. Logan ◽  
R. Sehgal ◽  
R. A. Assink ◽  
...  

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