Deliverables
Computationally optimized structures will be created continuously during the project and will be available to public
Publications
Author(s):
Parisa Talebi, Rossella Greco, Takashi Yamamoto, Mahdiyeh Zeynali, Saeid Asgharizadeh, Wei Cao
Published in:
Materials Advances, Issue 5, 2024, Page(s) 2968-2973, ISSN 2633-5409
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d3ma00977g
Author(s):
Siarhei Zhuk; Andrey A. Kistanov; Simon C. Boehme; Simon C. Boehme; Noemie Ott; Fabio La Mattina; Michael Stiefel; Maksym V. Kovalenko; Maksym V. Kovalenko; Sebastian Siol
Published in:
Chemistry of Materials, Issue 33, 2021, Page(s) 9306–9316, ISSN 0897-4756
Publisher:
American Chemical Society
DOI:
10.1021/acs.chemmater.1c03025
Author(s):
Jiefeng Meng, Min He, Feng Li, Taohai Li, Zhongjia Huang, Wei Cao
Published in:
Inorganica Chimica Acta, Issue 557, 2023, Page(s) 121701, ISSN 0020-1693
Publisher:
Elsevier BV
DOI:
10.1016/j.ica.2023.121701
Author(s):
Xinying Shi, Meng Zhang, Xiao Wang, Andrey A. Kistanov, Taohai Li, Wei Cao, Marko Huttula
Published in:
Nanoscale, Issue 14, 2022, Page(s) 8601 - 8610, ISSN 2040-3364
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2nr01489k
Author(s):
Javier Fernández-Catalá, Harishchandra Singh, Shubo Wang, Hannu Huhtinen, Petriina Paturi, Yang Bai, Wei Cao
Published in:
ACS Applied Nano Materials, Issue 6, 2023, Page(s) 4887–4897, ISSN 2574-0970
Publisher:
ACS Publications
DOI:
10.1021/acsanm.3c00630
Author(s):
Rossella Greco, Romain Botella, Javier Fernández-Catalá
Published in:
Hydrogen, Issue 4, 2023, Page(s) 620-643, ISSN 2673-4141
Publisher:
Multidisciplinary Digital Publishing Institute
DOI:
10.3390/hydrogen4030040
Author(s):
Min He, Defa Li, Yu Liu, Taohai Li, Feng Li, Javier Fernández-Catalá, Wei Cao
Published in:
New Journal of Chemistry, Issue 48, 2024, Page(s) 6704-6713, ISSN 1144-0546
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d3nj05239g
Author(s):
Jun Teng, Feng Li, Taohai Li, Marko Huttula, Wei Cao
Published in:
Materials Today Advances, Issue 22, 2024, Page(s) 100503, ISSN 2590-0498
Publisher:
Elsevier Ltd
DOI:
10.1016/j.mtadv.2024.100503
Author(s):
Linjing Li, Feng Li, Taohai Li, Wei Cao
Published in:
RSC advances, Issue 13, 2023, Page(s) 15981 - 15992, ISSN 2046-2069
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d3ra02531d
Author(s):
Jiefeng Meng, Feng Li, Taohai Li, Wei Cao
Published in:
Applied Surface Science, Issue 614, 2023, Page(s) 156183, ISSN 0169-4332
Publisher:
Elsevier BV
DOI:
10.1016/j.apsusc.2022.156183
Author(s):
Gabriel Alemany-Molina, Javier Fernández-Catalá, Wei Cao, Emilia Morallón, Diego Cazorla-Amorós
Published in:
Materials today chemistry, Issue 35, 2024, Page(s) 101858, ISSN 2468-5194
Publisher:
Elsevier Ltd
DOI:
10.1016/j.mtchem.2023.101858
Author(s):
Romain Botella, Andrey A. Kistanov, Wei Cao
Published in:
Journal of Chemical Information and Modeling, Issue 63, 2023, Page(s) 6212–6223, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.1021/acs.jcim.3c01509
Author(s):
R. Botella, W. Cao, J. Celis, J. Fernández-Catalá, R. Greco, L. Lu, V. Pankratova, F. Temerov
Published in:
Journal of Physics: Condensed Matter, Issue 36, 2024, Page(s) 141501, ISSN 0953-8984
Publisher:
Institute of Physics Publishing
DOI:
10.1088/1361-648x/ad14c8
Author(s):
Xiao Wang, Meng Zhang, Wei Cao
Published in:
Physical Chemistry Chemical Physics, Issue 26, 2024, Page(s) 11708-11714, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d3cp05478k
Author(s):
C.-H. Yu, Z-M. Qiang, S.-W. Yu, T.-H.Li, F. Li, M. Huttula, W. Cao
Published in:
Materials Today Chemistry, Issue 26, 2022, Page(s) 100988, ISSN 2468-5194
Publisher:
Elsevier Ltd
DOI:
10.1016/j.mtchem.2022.100988
Author(s):
Jing Luo, Zhaoxia Shi, Jiefeng Meng, Feng Li, Taohai Li, Meng Zhang, Rossella Greco, Wei Cao
Published in:
Journal of industrial and engineering chemistry, Issue 124, 2023, Page(s) 250-262, ISSN 1226-086X
Publisher:
Korean Society of Industrial Engineering Chemistry
DOI:
10.1016/j.jiec.2023.04.014
Author(s):
Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Published in:
Catalysts, Issue 20734344, 2022, Page(s) 1137, ISSN 2073-4344
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/catal12101137
Author(s):
Shangshu Liu, Feng Li, Taohai Li, Wei Cao
Published in:
Journal of Colloid and Interface Science, Issue 642, 2023, Page(s) 100-111, ISSN 0021-9797
Publisher:
Academic Press
DOI:
10.1016/j.jcis.2023.03.123
Author(s):
Chao Wang, Wen Li, Andrey A. Kistanov, Harishchandra Singh, Yves Kayser, Wei Cao, Baoyou Geng
Published in:
Journal of Colloid and Interface Science, Issue 628, 2022, Page(s) 398-406, ISSN 0021-9797
Publisher:
Academic Press
DOI:
10.1016/j.jcis.2022.08.069
Author(s):
Filipp Temerov, Rossella Greco, Joran Celis, Salvador Eslava, Weimin Wang, Takashi Yamamoto, Wei Cao
Published in:
Results in materials, Issue 22, 2024, Page(s) 100569, ISSN 2590-048X
Publisher:
Elsevier B.V.
DOI:
10.1016/j.rinma.2024.100569
Author(s):
Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen, Hegoi Manzano, Wei Cao, Paivo Kinnunen
Published in:
The Journal of Physical Chemistry C: Energy, Materials, and Catalysis, Issue 126, 2022, Page(s) 6196–6206, ISSN 1932-7447
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpcc.1c10590
Author(s):
Vasilii A. Balanov, Filipp Temerov, Vladimir Pankratov, Wei Cao, Yang Bai
Published in:
Solar RRL, Issue 7, 2023, Page(s) 2200995, ISSN 2367-198X
Publisher:
John Wiley & Sons
DOI:
10.1002/solr.202200995
Author(s):
Rossella Greco, Lucia Baxauli-Marin, Filipp Temerov, Matyas Daboczi, Salvador Eslava, Yuran Niu, Alexei Zakharov, Meng Zhang, Taohai Li, Wei Cao
Published in:
Chemical Engineering Journal, Issue 471, 2023, Page(s) 144569, ISSN 1385-8947
Publisher:
Elsevier BV
DOI:
10.1016/j.cej.2023.144569
Author(s):
Ekta Rani, Vandna K. Gupta, Md Thasfiquzzaman, Parisa Talebi, Anna Martinelli, Yuran Niu, Alexei Zakharov, Marko Huttula, Minna Patanen, Harishchandra Singh, Wei Cao
Published in:
Journal of Catalysis, Issue 00219517, 2022, Page(s) 199-208, ISSN 0021-9517
Publisher:
Academic Press
DOI:
10.1016/j.jcat.2022.09.006
Author(s):
Manoj Kumar Ghosalya, Parisa Talebi, Harishchandra Singh, Alexander Klyushin, Esko Kokkonen, Mohammed Alaoui Mansouri, Marko Huttula, Wei Cao, Samuli Urpelainen
Published in:
Catalysis Science & Technology, Issue 14, 2024, Page(s) 3029-3040, ISSN 2044-4761
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d4cy00204k
Author(s):
Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Published in:
Crystal Growth & Design, Issue 23, 2023, Page(s) 8828–8837, ISSN 1528-7483
Publisher:
American Chemical Society
DOI:
10.1021/acs.cgd.3c00929
Author(s):
Yasmine Baghdadi, Filipp Temerov, Junyi Cui, Matyas Daboczi, Eduardo Rattner, Michael Segundo Sena, Ioanna Itskou, Salvador Eslava
Published in:
Chemistry of Materials, Issue 35, 2023, Page(s) 8607–8620, ISSN 0897-4756
Publisher:
American Chemical Society
DOI:
10.1021/acs.chemmater.3c01635
Author(s):
Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella, Artur Davletshin, Wei Cao
Published in:
The Journal of Physical Chemistry Letters, Issue 13, 2022, Page(s) 2165−2172, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.2c00367
Author(s):
R. Botella, J. Fernández-Catalá, W. Cao
Published in:
Materials letters, Issue 352, 2023, Page(s) 135070, ISSN 0167-577X
Publisher:
Elsevier BV
DOI:
10.1016/j.matlet.2023.135070
Author(s):
Leran Lu, Romain Botella, Wei Cao
Published in:
physica status solidi (b) – basic solid state physics, Issue 260, 2023, Page(s) 2300001, ISSN 0370-1972
Publisher:
John Wiley & Sons Ltd.
DOI:
10.1002/pssb.202300001
Author(s):
Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Published in:
Advanced Materials, Issue 35, 2023, Page(s) 2304350, ISSN 0935-9648
Publisher:
United Nations Industrial Developement Organization
DOI:
10.1002/adma.202304350
Author(s):
Parisa Talebi, Andrey A. Kistanov, Ekta Rani, Harischandra Singh, Vladimir Pankratov, Viktorija Pankratova, Graham King, Marko Huttula, Wei Cao
Published in:
Applied energy, Issue 322, 2022, Page(s) 119461, ISSN 0306-2619
Publisher:
Pergamon Press Ltd.
DOI:
10.1016/j.apenergy.2022.119461
Author(s):
Romain Botella, Andrey A. Kistanov
Published in:
The Journal of Physical Chemistry Letters, Issue 14, 2023, Page(s) 3691–3697, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.3c00665
Author(s):
Javier Fernández-Catalá, Andrey A. Kistanov, Yang Bai, Harishchandra Singh, Wei Cao
Published in:
npj 2d Materials and Applications, Issue 7, 2023, Page(s) 48, ISSN 2397-7132
Publisher:
Springer Nature
DOI:
10.1038/s41699-023-00412-1
Author(s):
Joran Celis, Wei Cao
Published in:
Journal of Chemical Theory and Computation, Issue 20, 2024, Page(s) 2377–2389, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.3c00932
Author(s):
A. Kistanov, R. Botella, E. Korznikova, A. Smirnov, S. Zhuk
Published in:
NDTCS : XIX International Workshop on New Approaches to High-Tech: Nano-Design, Technology, Computer Simulations: Book of Abstracts, 2021, Page(s) 84-85, ISBN 978-985-543-633-2
Publisher:
Belarusian State University
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