Cross-dimensional Activation of Two-Dimensional Semiconductors for Photocatalytic Heterojunctions

Project Information

CATCH

Grant agreement ID: 101002219

DOI

10.3030/101002219

EC signature date 18 December 2020

Start date 1 May 2021

End date 30 April 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 999 946,00

EU contribution

€ 1 999 946,00

Coordinated by

OULUN YLIOPISTO
Finland

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Open Research Data Pilot (1)

Data Management Plan (DMP)

Computationally optimized structures will be created continuously during the project and will be available to public

Publications

Peer reviewed articles (43)

Hierarchical nickel carbonate hydroxide nanostructures for photocatalytic hydrogen evolution from water splitting

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

Synthesis and Characterization of the Ternary Nitride Semiconductor Zn2VN3: Theoretical Prediction, Combinatorial Screening, and Epitaxial Stabilization

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

Interfacial linkage modulated amorphous molybdenum sulfide/bismuth halide perovskite heterojunction for enhanced visible-light-driven photocatalytic hydrogen evolution

Author(s): He Zhao, Rossella Greco, Rafal Sliz, Olli Pitkänen, Krisztian Kordas, Satu Ojala
Published in: Applied Catalysis B: Environment and Energy, Issue 358, 2024, Page(s) 124454, ISSN 0926-3373
Publisher: Elsevier BV
DOI: 10.1016/j.apcatb.2024.124454

Combining Ce-metal–organic framework with CdS for efficient photocatalytic removals of heavy metal ion and organic pollutant under visible and solar lights

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

Nickel nanoparticle-activated MoS2 for efficient visible light photocatalytic hydrogen evolution

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

Hydrothermal Synthesis of Ni3TeO6 and Cu3TeO6 Nanostructures for Magnetic and Photoconductivity Applications

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

Sm-MOF decorated cotton for efficient on-demand oil-water separation and organic pollutants removal

Author(s): Jiefeng Meng, Jun Teng, Feng Li, Taohai Li, Rossella Greco, Wei Cao
Published in: Separation and Purification Technology, Issue 358, 2025, Page(s) 130248, ISSN 1383-5866
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.seppur.2024.130248

Cu-based Z-schemes family photocatalysts for solar H2 production

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

One-pot hydrothermal synthesis of FeNbO4 microspheres for effective sonocatalysis

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

Improving Bandgap Determination by Optical Spectroscopy: Comparative Evaluation of ISARS, UV–vis, and Diffuse Reflectance

Author(s): Huy Pham, Juliana Cardoso Neves, Rongjing Yan, Viktorija Pankratova, Wei Cao, Dongmao Zhang
Published in: ACS Measurement Science Au, Issue 5, 2025, Page(s) 666–676, ISSN 2694-250X
Publisher: American Chemical Society (ACS)
DOI: 10.1021/acsmeasuresciau.5c00059

Enhanced visible light-driven hydrogen evolution in non-precious metal Ni2P/CdIn2S4 S-type heterojunction via rapid interfacial charge transfer

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

A facile synthesis of K3PMo12O40/WO3 crystals for effective sonocatalytic performance

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

Insights into Ni3TeO6 calcination via in situ synchrotron X-ray diffraction

Author(s): Shubo Wang, Javier Fernández-Catalá, Qifeng Shu, Marko Huttula, Wei Cao, Harishchandra Singh
Published in: Physical Chemistry Chemical Physics, Issue 26, 2024, Page(s) 28913-28921, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d4cp03765k

Coating polyurethane sponge with Dy-MOF for efficient oil–water separation in complex environments

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

Highly selective cathodic H2O2 electrosynthesis by a metal tellurate/carbon black composite material

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

Swarm Smart Meta-Estimator for 2D/2D Heterostructure Design

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

Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

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

Chemical properties of superatomic Li3O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes

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

A facile morphology-controllable synthetic route to monodisperse K3PMo12O40▪nH2O crystals

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

Screener and enumerator with force-field optimization (SEFFO): Algorithm for searching adsorption sites and configurations on 2D materials

Author(s): Leran Lu, Wei Cao, Romain Botella
Published in: Computer Physics Communications, Issue 308, 2025, Page(s) 109440, ISSN 0010-4655
Publisher: Elsevier BV
DOI: 10.1016/j.cpc.2024.109440

1 T′/2 H MoS2 nanoflowers integrated with bismuth halide perovskite for improved photocatalytic hydrogen evolution

Author(s): He Zhao, Rossella Greco, Hannu-Pekka Komsa, Rafal Sliz, Olli Pitkänen, Krisztian Kordas, Satu Ojala
Published in: Applied Catalysis B: Environment and Energy, Issue 357, 2024, Page(s) 124318, ISSN 0926-3373
Publisher: Elsevier BV
DOI: 10.1016/j.apcatb.2024.124318

Z-scheme Bi2O₃/Bi/ZnIn2S₄ photocatalyst for enhancing the removal performance of Cr(VI), 2,4-dinitrophenol and tetracycline

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

g-C3N4-Based Direct Z-Scheme Photocatalysts for Environmental Applications

Author(s): Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Published in: Catalysts, Issue 12, 2022, Page(s) 1137, ISSN 2073-4344
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal12101137

High-performance ZnIn2S4/Ni(dmgH)2 for photocatalytic hydrogen evolution: Ion exchange construction, photocorrosion mitigation, and efficiency enhancement by photochromic effect

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

Structural engineering and electronic state tuning optimization of molybdenum-doped cobalt hydroxide nanosheet self-assembled hierarchical microtubules for efficient electrocatalytic oxygen evolution

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

Activating 2D MoS2 by loading 2D Cu–S nanoplatelets for improved visible light photocatalytic hydrogen evolution, drug degradation, and CO2 reduction

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

Exploring Mechanisms of Hydration and Carbonation of MgO and Mg(OH)2 in Reactive Magnesium Oxide-based Cements

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

Filterless Visible-Range Color Sensing and Wavelength-Selective Photodetection Based on Barium/Nickel Codoped Bandgap-Engineered Potassium Sodium Niobate Ferroelectric Ceramics

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

Activation of 2D cobalt hydroxide with 0D cobalt oxide decoration for microplastics degradation and hydrogen evolution

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

Unraveling compensation between electron transfer and strain in Ni-Ag-MoS2 photocatalyst

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

Solar light driven atomic and electronic transformations in a plasmonic Ni@NiO/NiCO3 photocatalyst revealed by ambient pressure X-ray photoelectron spectroscopy

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

Shape-Controlled Synthesis of Cu3TeO6 Nanoparticles with Photocatalytic Features

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

Facile hydrothermal synthesis and photocatalytic properties of g-C3N4/Cu3TeO6 heterostructures

Author(s): J. Fernández-Català, J. Chávez-Caiza, R. Greco, M. Navlani-García, A. Berenguer-Murcia, W. Cao, D. Cazorla-Amorós
Published in: Inorganic Chemistry Communications, Issue 178, 2025, Page(s) 114424, ISSN 1387-7003
Publisher: Elsevier BV
DOI: 10.1016/j.inoche.2025.114424

Cs3Bi2Br9/g-C3N4 Direct Z-Scheme Heterojunction for Enhanced Photocatalytic Reduction of CO2 to CO

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

Family of Two-Dimensional Transition Metal Dichlorides: Fundamental Properties, Structural Defects, and Environmental Stability

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

Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning

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

Rapid, In Situ and Non‐Destructive Analysis for the Evaluation of Microplastics Degradation in Water Via Haze Measurement

Author(s): Rossella Greco, Lucía Baxauli‐Marin, Javier Fernández‐Catalá, Viktorija Pankratova, Claudiu Bulbucan, Karina Thånell, Wei Cao
Published in: Chemistry–Methods, Issue 5, 2025, Page(s) e202400047, ISSN 2628-9725
Publisher: Wiley
DOI: 10.1002/cmtd.202400047

Theoretical Study of Stability of Halogen‐Defective Trihalide Monolayers: Cases of AlI3, AsI3, and IrBr3

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

Scalable All-Inorganic Halide Perovskite Photoanodes with >100 h Operational Stability Containing Earth-Abundant Materials

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

Unveiling the role of carbonate in nickel-based plasmonic core@shell hybrid nanostructure for photocatalytic water splitting

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

A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations

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

Theoretical prediction and shape-controlled synthesis of two-dimensional semiconductive Ni3TeO6

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

Systematic DFT Modeling van der Waals Heterostructures from a Complete Configurational Basis Applied to γ-PC/WS2

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

Conference proceedings (1)

Density functional theory-based study of Cu2TISnS₄ and Cu2VSnS₄ for photovoltaic applications

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