DataVXAdvanced Energy MaterialsPaper
journal article·2024-05Open access

The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN2 (Adv. Energy Mater. 19/2024)

Franziska S. Hegner, Adi Cohen, Stefan S. Rudel, Silva M. Kronawitter, Manuel Grumet, Xiangzhou Zhu, Roman Korobko, Lothar Houben, Chang‐Ming Jiang, Wolfgang Schnick, Gregor Kieslich, Omer Yaffe, Ian D. Sharp, David A. Egger

Advanced Energy Materials· Volume 14· Issue 19
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Source abstract

Abstract

Solar Energy Harvesting In article number 2303059, Omer Yaffe, Ian D. Sharp, David A. Egger, and co-workers uncover pronounced anharmonic vibrational effects in the ternary nitride semiconductor, CuTaN2. These dynamic structural characteristics are found to have a large impact on the fundamental properties of this compound, causing an opening of its bandgap to a near-optimal value for solar energy harvesting.
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Research context

Electronic materials

OpenAlex topics: Machine Learning in Materials Science · MXene and MAX Phase Materials

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Affiliations

Physics Department TUM School of Natural Sciences Technical University of Munich James‐Franck‐Straße 1 85748 Garching Germany

Walter Schottky Institute Technical University of Munich Am Coulombwall 4 85748 Garching Germany

Department of Chemical and Biological Physics Weizmann Institute of Science Rehovot 76100 Israel

Department of Chemistry Ludwig‐Maximilians‐Universität München Butenandtstr. 5‐13 (D) 81377 Munich Germany

Chemistry Department TUM School of Natural Sciences Technical University of Munich Lichtenbergstraße 4 85748 Garching Germany

Department of Chemical Research Support Weizmann Institute of Science Rehovot 7610001 Israel

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