Advancing MXene Electrocatalysts for Energy Conversion Reactions: Surface, Stoichiometry, and Stability. (30th November 2022)

• Record Type: Journal Article
• Authors: Tsounis, Constantine; Kumar, Priyank V.; Masood, Hassan; Kulkarni, Rutvij Pankaj; Gautam, Gopalakrishnan Sai; Müller, Christoph R.; Amal, Rose; Kuznetsov, Denis A.
• Is Part Of: Angewandte Chemie. Volume 135:Number 4(2023)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-11-30
• Subjects: Density Functional Theory -- Electrocatalysis -- MXene -- Pourbaix Diagram -- Stability; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.202210828
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: MXenes, due to their tailorable chemistry and favourable physical properties, have great promise in electrocatalytic energy conversion reactions. To exploit fully their enormous potential, further advances specific to electrocatalysis revolving around their performance, stability, compositional discovery and synthesis are required. The most recent advances in these aspects are discussed in detail: surface functional and stoichiometric modifications which can improve performance, Pourbaix stability related to their electrocatalytic operating conditions, density functional theory and advances in machine learning for their discovery, and prospects in large scale synthesis and solution processing techniques to produce membrane electrode assemblies and integrated electrodes. This Review provides a perspective that is complemented by new density functional theory calculations which show how these recent advances in MXene material design are paving the way for effective electrocatalysts required for the transition to integrated renewable energy systems. Abstract : Due to their remarkable physical properties and diversity of chemical structures, MXenes offer a platform to create highly active and selective electrocatalysts for key energy conversion reactions. This Review discusses the latest literature relevant to their application in electrocatalysis and provides a perspective supplemented by new DFT calculations on how MXenes may play a key role in the global sustainable energy transition.