A new project-oriented database concept for high-throughput materials research and development is presented. The relational database is built on the common software MS-Access. Its advantages are high versatility and compatibility as well as simple data import and export. Due to its modular conception, it is easily adapted and modified to various projects in combinatorial materials research. With the aid of standardized ASCII tables for data exchange, it was not only possible to share results between different research groups but also to use their individual expertise for a collective evaluation based on an identical data stock. The database application for visualization and data mining is demonstrated with examples from a search for new solid state sensor materials.

A complete high throughput assembly for the search for electrochemical sensor materials is described. It is a primary screening device, whose sole purpose is to locate most efficiently new materials with potential sensor properties. The set-up consists of a gas tight reactor for the sensor libraries, an IR-camera, a switching multimeter for dc-resistance measurements, a test gas supply array for different test gases, software for control of experimental flow, data recording, data evaluation, data mining and a database. The sensor libraries consist of a ceramic alumina plate with 64 interdigital electrodes and associated contact pads arranged on the outer rim of the library. The materials are deposited on top of the electrodes and calcined before use. The reactor houses 128 spring loaded electrodes for electrochemical monitoring and a sapphire plate for IR-monitoring of materials responses to exposure to test gases. Data are evaluated automatically and stored in a database for visualization and data mining.

The screening results of two spreads for gaseous reactions are interpreted in the framework of spatial statistics. The first composition spread concerns low temperature, low concentration oxidation of CO by Co-Mn-Ni-mixed-oxides, the second propene oxidation in air by M 1 -M 2 -mixed-oxides. The data ara analzyed as realizations of random processes and the covariance functions of these processes are determined. Exponential or gaussian functions with ranges approximately 5-10 mol-% are found. The impact on the placement of further samples is discussed.

Eine kombinatorische Prozesskette zur Synthese und Testung dicker Oxidfilme wurde für die Entwicklung neuer Gas-Sensoren aufgebaut. Teil dieser Kette ist die Synthese und Erzeugung von Mischoxidschichten mit variabler Zusammensetzung. Eine Materialbibliothek wurde auf einem Array von 8×8 Interdigitalelelektroden hergestellt (siehe Bild). Bei der Charakterisierung der Felder wurde die Abfolge der Prüfgase und die Umgebungstemperatur den Anforderungen entsprechend variiert.

A combinatorial work flow for the rapid synthesis and testing of thick oxide films for the development of new gas sensors with improved sensitivity and selectivity involves the synthesis and deposition of mixed-oxide films of variable composition. The library is based on the sol–gel synthesis of mixed oxides on an array of 8×8 interdigitated electrodes. For the characterization of the sensor arrays, test gas sequences and sensor temperatures were varied.

AbstractFor Abstract see ChemInform Abstract in Full Text.

AbstractFor Abstract see ChemInform Abstract in Full Text.

The details of a simple high-throughput reactor, developed for primary screening of catalyst libraries, are described with the special application of screening by MS. All elements of the reactor are addressed individually. The use of the reactor is demonstrated with a model study of oxidative dehydrogenation of butane. 200 mixed oxides based on silica, titania, zirconia and alumina have been evaluated in a single high-throughput experiment (HTE) and a procedure for identification of promising candidates is outlined. Conventional experiments have been used to confirm, that highly selective catalysts as well as materials catalyzing total oxidation can be reliably distinguished by the type of HTE described here.

The preparation of a library is the starting point of projects in combinatorial catalysis and materials research. Although commercial synthesis robots can be used for this task, the software associated with the hardware available today does not suite the needs of materials synthesis. Therefore, a general software tool has been developed, which suits the needs for automated liquid phase synthesis of materials and catalysts for libraries. This manuscript describes the general strategies and essential features of such a software tool.

Deposition of Ag on a silicon oil surface leads to the formation of nm-sized Ag crystals floating on the oil surface. These nanocrystals mutually attract each other, forming strongly branched nanocrystal aggregates and continuous aggregate networks. Transformation processes of such nanocrystal aggregate networks are imaged in situ by optical microscopy. The observations are explained on the basis of a simple model involving diffusion of nanocrystals along aggregate edges and the rupture of branches resulting from branch width fluctuations due to edge diffusion.

Combinatorial chemistry and high throughput experimentation are key words, which represent a new field of chemistry, where through systematic combination of building blocks or chemical elements large numbers of new compounds are generated, characterized and tested in an automated fashion. It contradicts the conventional one-at-a-time approach by allowing the highly parallelized or rapid sequential study of hundreds, even thousands of molecules or materials in a single experiment. It offers to save time and costs for research and development. High throughput experimentation is rapidly entering industrial laboratories, while academia still remains hesitant and even opposed.