Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational methods

作     者：Alfred Ludwig 

作者机构：Chair for Materials Discovery and InterfacesInstitute for MaterialsFaculty of Mechanical EngineeringRuhr University BochumBochumGermany ZGHRuhr University BochumBochumGermany 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2019年第5卷第1期

页      面：547-553页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：DFG 

主　　题：synthesis film characterization 

摘      要：This perspective provides an experimentalist’s view on materials discovery in multinary materials systems—from nanoparticles over thin films to bulk—based on combinatorial thin-film synthesis and high-throughput characterization in connection with highthroughput calculations and materials *** multinary materials systems as well as composition gradients which cover all materials compositions necessary for verification/falsification of hypotheses and predictions are efficiently fabricated by combinatorial synthesis of thin-film materials *** high-quality high-throughput characterization methods enable comprehensive determination of compositional,structural and(multi)functional properties of the materials contained in the *** created multidimensional datasets enable data-driven materials discoveries and support efficient optimization of newly identified materials,using combinatorial ***,these datasets are the basis for multifunctional existence diagrams,comprising correlations between composition,processing,structure and properties,which can be used for the design of future materials.