Publication Date

7-2-2021

Department

Ames Laboratory; Chemistry

Campus Units

Ames Laboratory, Chemistry

Report Number

IS-J 10534

DOI

10.1021/acs.chemmater.1c01484

Journal Title

Chemistry of Materials

Volume Number

33

Issue Number

13

First Page

4835

Last Page

4841

Abstract

Current solid state synthesis intrinsically involves a multidimensional space which is challenging to parametrize and predict. The diversity of extended structures comes from the diversity of basic properties of elements of the Periodic system which may exhibit a variety of bonding modes. The fundamental challenges of prediction of the preparative outcome are further complicated by practical synthetic issues. Current development in computational and experimental methods calls for collaborative efforts to make solid state synthesis more predictable. This Perspective discusses several steps in this direction, including integration of predictions of synthetic conditions with new structure predictions, widespread in situ studies to obtain a panoramic view of the reaction mechanism, and the creation of a synthetic database to properly document all synthetic efforts, including the unsuccessful ones.

Language

en

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Saturday, July 02, 2022

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