scholarly journals Combinatorial Thin Film Synthesis and its High Throughput Screening for Inorganic Functional Materials

2011 ◽  
Vol 54 (11) ◽  
pp. 549-558 ◽  
Author(s):  
Tetsuya HASEGAWA ◽  
Tomoteru FUKUMURA
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
High Throughput Screening ◽  
Functional Materials ◽  
Film Synthesis

High throughput screening of ferroelectric thin film libraries

2006 ◽  
Vol 100 (11) ◽  
pp. 114114 ◽  
Author(s):  
Christian Schroeter ◽  
Berit Wessler ◽  
Andreas Schoenecker ◽  
Uwe Keitel ◽  
Lukas M. Eng
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
High Throughput Screening ◽  
Ferroelectric Thin Film

scholarly journals Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow

2021 ◽  
Author(s):  
Hassan Aljama ◽  
Martin Head-Gordon ◽  
Alexis Bell
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Active Sites ◽  
Density Functional ◽  
Functional Materials ◽  
No Adsorption ◽  
Functional Theory ◽  
Wide Range ◽  
The Stability ◽  
Shed Light

Abstract Cation exchanged-zeolites are functional materials with a wide range of applications from catalysis to sorbents. They present a challenge for computational studies using density functional theory due to the numerous possible active sites. From Al configuration, to placement of extra framework cation(s), to potentially different oxidation states of the cation, accounting for all these possibilities is not trivial. To make the number of calculations more tractable, most studies focus on a few active sites. We attempt to go beyond these limitations by implementing a workflow for a high throughput screening, designed to systematize the problem and exhaustively search for feasible active sites. We use Pd-exchanged CHA and BEA to illustrate the approach. After conducting thousands of individual calculations, we identify the sites most favorable for the Pd cation and discuss the results in detail. The high throughput screening identifies many energetically favorable sites that are non-trivial. Lastly, we employ these results to examine NO adsorption in Pd-exchanged CHA, which is a promising passive NOx adsorbent (PNA) during the cold start of automobiles. The results shed light on critical active sites for NOx capture that were not previously studied.

Combinatorial Synthesis and Evaluation of Functional Inorganic Materials Using Thin-Film Techniques

MRS Bulletin ◽  
2002 ◽  
Vol 27 (4) ◽  
pp. 301-308 ◽  
Author(s):  
Ichiro Takeuchi ◽  
Robert Bruce van Dover ◽  
Hideomi Koinuma
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
Inorganic Materials ◽  
Chemical Systems ◽  
Thin Film Fabrication ◽  
Inorganic Chemical ◽  
Film Synthesis ◽  
Rapid Characterization ◽  
New Applications ◽  
Evaluation Techniques

AbstractNovel phases of functional inorganic chemical systems can be efficiently explored using high-throughput thin-film fabrication techniques coupled with rapid characterization schemes. High-throughput investigation of thin-film materials has already led to the discovery of new dielectric and magnetic materials. In this article, we review various high-throughput thin-film synthesis/evaluation techniques and discuss examples of exciting discoveries and new applications of combinatorial techniques.

scholarly journals NANOBIOMATERIALS LIBRARY SYNTHESIS FOR HIGH-THROUGHPUT SCREENING USING A DRY POWDER PRINTING METHOD

Nano LIFE ◽  
2012 ◽  
Vol 02 (01) ◽  
pp. 1250006 ◽  
Author(s):  
ZONGQI LI ◽  
SHOUFENG YANG
Keyword(s):  
High Throughput ◽  
Tricalcium Phosphate ◽  
High Throughput Screening ◽  
Functional Materials ◽  
Powder Materials ◽  
Library Synthesis ◽  
New Materials ◽  
Dry Powder ◽  
Unit Design ◽  
Printing Method

High-throughput (HT) screening and combinatorial searches for the discovery, development and optimization of functional materials have been widely accepted in many new materials discovery. Dry powder HT library synthesis have advantages such as using same powder materials in lab as in production, and avoiding the use of additives and/or solvents which could be harmful for cells. The VaryDose dry powder dispensing technology was adapted in this work to dispense nanobioceramic powders in quantities as low as 0.1 mg per dispensing. Nanocalcium phosphate biomaterials, including hydroxyapatite (HA) and β-tricalcium phosphate (β-TCP), were selected to demonstrate the library fabrication. The dispensing unit design and the effect of the dispensing parameters on dosage control and uniformity are discussed.

High-Throughput Screening of Thin-Film Semiconductor Material Libraries I: System Development and Case Study for TiWO

ChemSusChem ◽  
2015 ◽  
Vol 8 (7) ◽  
pp. 1270-1278 ◽  
Author(s):  
Kirill Sliozberg ◽  
Dominik Schäfer ◽  
Thomas Erichsen ◽  
Robert Meyer ◽  
Chinmay Khare ◽  
...  
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
High Throughput Screening ◽  
System Development ◽  
Semiconductor Material

High-throughput screening of magnetic properties of quenched metallic-alloy thin-film composition spreads

2007 ◽  
Vol 254 (3) ◽  
pp. 734-737 ◽  
Author(s):  
Jason R. Hattrick-Simpers ◽  
Cui Jun ◽  
Makoto Murakami ◽  
Antonio Orozco ◽  
Lee Knauss ◽  
...  
Keyword(s):  
Thin Film ◽  
Magnetic Properties ◽  
High Throughput ◽  
High Throughput Screening ◽  
Metallic Alloy ◽  
Alloy Thin Film ◽  
Film Composition

Investigation of Superalloy Composition Space Using High Throughput Thin Film Synthesis and Synchrotron X-Ray Diffraction

2016 ◽  
pp. 45-54 ◽  
Author(s):  
LD Connor ◽  
PM Mignanelli ◽  
S Guérin ◽  
JP Soulié ◽  
C Mormiche ◽  
...  
Keyword(s):  
Thin Film ◽  
High Throughput ◽  
X Ray Diffraction ◽  
X Ray ◽  
Composition Space ◽  
Film Synthesis

Combinatorial screening of Pd-based quaternary electrocatalysts for oxygen reduction reaction in alkaline media

2017 ◽  
Vol 5 (1) ◽  
pp. 67-72 ◽  
Author(s):  
Jinyang Li ◽  
Helge S. Stein ◽  
Kirill Sliozberg ◽  
Jingbei Liu ◽  
Yanhui Liu ◽  
...  
Keyword(s):  
Thin Film ◽  
Oxygen Reduction Reaction ◽  
High Throughput ◽  
Electrochemical Behavior ◽  
High Throughput Screening ◽  
Reduction Reaction ◽  
Alkaline Media ◽  
Film Library ◽  
Combinatorial Screening ◽  
Orr Activity

We examined the ORR activity of a combinatorial Pd–Au–Ag–Ti thin film library using high-throughput screening and correlate the electrochemical behavior to the crystallographic properties.

High-Throughput Screening of Flux Materials for Single Crystal Growth by Combinatorial Pulsed Laser Deposition

2003 ◽  
Vol 804 ◽  
Author(s):  
R. Takahashi ◽  
T. Tanigawa ◽  
Y. Yamamoto ◽  
Y. Yonezawa ◽  
Y. Matsumoto ◽  
...  
Keyword(s):  
Thin Film ◽  
Crystal Growth ◽  
Single Crystal ◽  
High Throughput ◽  
High Throughput Screening ◽  
Single Crystal Growth ◽  
Laser Deposition ◽  
Bulk Single Crystal ◽  
Flux Composition ◽  
Materials Used

ABSTRACTWe propose a new concept and method for high throughput screening of flux materials used in the bulk single crystal growth. The concept of our tri-phase epitaxy has been generalized as the flux-mediated epitaxy with the aid of quick optimization of flux materials in the combinatorial thin-film technology. Here, we report on the successful discovery of a new flux composition of Bi-Ti-Cu-O for the growth of high-quality Bi4Ti3O12 bulk crystal and thin film.

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