Heterogeneous Trimetallic Nanoparticles as Catalysts
Crawley, James W M, Gow, Isla E, Lawes, Naomi, Kowalec, Igor, Kabalan, Lara, Catlow, C Richard A, Logsdail, Andrew J, Taylor, Stuart H, Dummer, Nicholas F, Hutchings, Graham J
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Published in Chemical reviews (23.03.2022)
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A computational study of direct CO2 hydrogenation to methanol on Pd surfaces
Kowalec, Igor, Kabalan, Lara, Catlow, C Richard A, Logsdail, Andrew J
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
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Investigation of the Pd(1−x)Zn x alloy phase diagram using ab initio modelling approaches
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Published in Journal of physics. Condensed matter (09.10.2023)
Published in Journal of physics. Condensed matter (09.10.2023)
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A computational study of direct CO hydrogenation to methanol on Pd surfaces
Kowalec, Igor, Kabalan, Lara, Catlow, C. Richard A, Logsdail, Andrew J
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
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Journal Article
A computational study of direct CO 2 hydrogenation to methanol on Pd surfaces
Kowalec, Igor, Kabalan, Lara, Catlow, C Richard A, Logsdail, Andrew J
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
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Investigation of the Pd(1-x)Znxalloy phase diagram usingab initiomodelling approaches
Kabalan, Lara, Kowalec, Igor, Rigamonti, Santiago, Troppenz, Maria, Draxl, Claudia, Catlow, C Richard A, Logsdail, Andrew J
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Published in Journal of physics. Condensed matter (07.07.2023)
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Roadmap on data-centric materials science
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Published in Modelling and simulation in materials science and engineering (01.09.2024)
Published in Modelling and simulation in materials science and engineering (01.09.2024)
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Theory: general discussion
Anand, Megha, Baletto, Francesca, Bugaev, Aram, Catlow, Richard, Claeys, Michael, Conway, Matthew, Davidson, Matthew, Davies, Philip, de Leeuw, Nora, Eremin, Dmitry, Fischer, Nico, Hargreaves, Justin, Hutchings, Graham, Iyer, Jayendran, Jain, Disha, Jameel, Froze, Kamali, Ali Reza, Kondrat, Simon, Kowalec, Igor, Kraus, Peter, Reece, Christian, Réocreux, Romain, Santos-Carballal, David, Seavill, Peter W, Shozi, Mzamo, Sinev, Mikhail, Sinha, Vivek, Stamatakis, Michail, Uner, Deniz, Vojvodic, Aleksandra, Whiston, Keith, Willock, David, Wolf, Moritz, Yang, Bo, Zhu, Beien
Published in Faraday discussions (01.06.2021)
Published in Faraday discussions (01.06.2021)
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Roadmap on Data-Centric Materials Science
Bauer, Stefan, Benner, Peter, Bereau, Tristan, Blum, Volker, Boley, Mario, Carbogno, Christian, Catlow, C Richard A, Dehm, Gerhard, Eibl, Sebastian, Ernstorfer, Ralph, Fekete, Ádám, Lucas Foppa, Fratzl, Peter, Freysoldt, Christoph, Gault, Baptiste, Ghiringhelli, Luca M, Giri, Sajal K, Gladyshev, Anton, Goyal, Pawan, Hattrick-Simpers, Jason, Kabalan, Lara, Karpov, Petr, Khorrami, Mohammad S, Koch, Christoph, Kokott, Sebastian, Kosch, Thomas, Kowalec, Igor, Kremer, Kurt, Leitherer, Andreas, Li, Yue, Liebscher, Christian H, Logsdail, Andrew J, Lu, Zhongwei, Luong, Felix, Marek, Andreas, Merz, Florian, Mianroodi, Jaber R, Neugebauer, Jörg, Zongrui Pei, Purcell, Thomas A R, Raabe, Dierk, Rampp, Markus, Rossi, Mariana, Jan-Michael Rost, Saal, James, Saalmann, Ulf, Kasturi Narasimha Sasidhar, Saxena, Alaukik, Sbailò, Luigi, Scheidgen, Markus, Schloz, Marcel, Schmidt, Daniel F, Teshuva, Simon, Trunschke, Annette, Ye, Wei, Weikum, Gerhard, Xian, R Patrick, Yao, Yi, Yin, Junqi, Zhao, Meng, Scheffler, Matthias
Published in arXiv.org (01.05.2024)
Published in arXiv.org (01.05.2024)
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