Crystal Structure Classification of Copper‐Based Sulfides as a Tool for the Design of Inorganic Functional Materials. Issue 2 (24th September 2021)

• Record Type: Journal Article
• Authors: Lemoine, Pierric; Guélou, Gabin; Raveau, Bernard; Guilmeau, Emmanuel
• Is Part Of: Angewandte Chemie international edition. Volume 61:Issue 2(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2021-09-24
• Subjects: copper sulfides -- crystal structure -- energy materials -- photovoltaics -- thermoelectrics; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202108686
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: Research focusing on the interplay between structural features and transport properties of inorganic materials is of paramount importance for the identification, comprehension, and optimisation of functional materials. In this respect, Earth‐abundant copper sulfides have been receiving considerable attention from scientists as the urgency remains to discover and improve the efficiency of sustainable materials for energy applications. This proposed classification of copper sulfides, associated with p‐ and/or d‐block elements, is based on their crystallographic features and an analysis of their transport properties. It provides guidelines to help estimate some properties of new materials (type of main charge carriers, thermal conductivity, transport mechanisms, etc.) from consideration of only their chemical composition and crystal structure. The classification relies primarily on recent studies in the fields of thermoelectricity and photovoltaics as well as on crystal‐structure investigations. Abstract : A classification of copper sulfides based on crystallographic features has been proposed from investigation of the structure–property relationships reported on their phases in dozens of publications from the fields of crystallography and materials for energy conversion. This classification reveals systematic trends that can be explained and exploited for the design and engineering of new environmentally friendly materials.