Cover Pages, Patents, and Book Chapters

Cover Pages

Metastability at Defective Metal Oxide Interfaces and Nanoconfined Structures, V. Esposito and I. E. Castelli, Adv. Mater. Interfaces 2020, 1902090 (2020).

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Autonomous Discovery of Materials for Intercalation Electrodes, F. T. Bölle, N. R. Mathiesen, A. J. Nielsen, T. Vegge, J. M. García-Lastra, and I. E. Castelli, Batteries & Supercaps 3, 488 (2020).

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source: nature.com

Two-dimensional Materials from High-throughput Computational Exfoliation of Experimentally Known Compounds, N. Mounet, M. Gibertini, P. Schwaller, D. Campi, A. Merkys, A. Marrazzo, T. Sohier, I. E. Castelli, A. Cepellotti, G. Pizzi, and N. Marzari, Nature Nanotechnology 13, 246 (2018).

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New Light Harvesting Materials Using Accurate and Efficient Bandgap Calculations, I. E. Castelli, F. Hüser, M. Pandey, H. Li, K. S. Thygesen, B. Seger, A. Jain, K. A. Persson, G. Ceder, and K. W. Jacobsen, Advanced Energy Materials 5, 1400915 (2015).

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Bandgap Calculations and Trends of Organometal Halide Perovskites, I. E. Castelli, J. M. García-Lastra, K. S. Thygesen, and K. W. Jacobsen, APL Materials 2, 081514 (2014).

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Carbon sp Chains in Graphene Nanoholes, I. E. Castelli, N. Ferri, G. Onida, and N. Manini, J. Phys.: Condens. Matter 24, 104019 (2012).

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Patents

High electrically conducting current collector ceramic material for Solid Oxides Fuel Cells, inventors: M. Kato, K. Ukai, K. Okada, K. Miura, K. W. Jacobsen, J. Rossmeisl, M. Björketun, I. E. Castelli, T. Olsen. Publication number (granted patent): EP 3211703 B1 (2019).

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High electrically conducting current collector ceramic material for Solid Oxides Fuel Cells, inventors: M. Kato, K. Ukai, K. Okada, K. Miura, K. W. Jacobsen, J. Rossmeisl, M. Björketun, I. E. Castelli, T. Olsen. Publication number (granted patent): JP 2017157553 A (2017).

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Book Chapters

Fundamental Atomic Insight in Electrocatalysis, A. Bagger, I. E. Castelli, M. H. Hansen, and J. Rossmeisl, in Handbook of Materials Modeling, ed. W. Andreoni and S. Yip, Springer, July 2018.

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Computational Screening of Light-Absorbing Materials for Photoelectrochemical Water Splitting, I. E. Castelli, K. Kuhar, M. Pandey, and K. W. Jacobsen, in Advances in Photoelectrochemical Water Splitting, ed. D. Tilley, S. Lany and R, van de Krol, RSC Editor, February 2018.

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Computational High-throughput Screening for Solar Energy Materials, I. E. Castelli, K. S. Thygesen, and K. W. Jacobsen, in Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications, ed. G. Giorgi and K. Yamashita, CRC Press, June 2017.

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