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CORDIS

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

Livrables

Data Management Plan (DMP)

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

Publications

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

Auteurs: Parisa Talebi, Rossella Greco, Takashi Yamamoto, Mahdiyeh Zeynali, Saeid Asgharizadeh, Wei Cao
Publié dans: Materials Advances, Numéro 5, 2024, Page(s) 2968-2973, ISSN 2633-5409
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3ma00977g

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

Auteurs: 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
Publié dans: Chemistry of Materials, Numéro 33, 2021, Page(s) 9306–9316, ISSN 0897-4756
Éditeur: American Chemical Society
DOI: 10.1021/acs.chemmater.1c03025

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

Auteurs: Jiefeng Meng, Min He, Feng Li, Taohai Li, Zhongjia Huang, Wei Cao
Publié dans: Inorganica Chimica Acta, Numéro 557, 2023, Page(s) 121701, ISSN 0020-1693
Éditeur: Elsevier BV
DOI: 10.1016/j.ica.2023.121701

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

Auteurs: Xinying Shi, Meng Zhang, Xiao Wang, Andrey A. Kistanov, Taohai Li, Wei Cao, Marko Huttula
Publié dans: Nanoscale, Numéro 14, 2022, Page(s) 8601 - 8610, ISSN 2040-3364
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d2nr01489k

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

Auteurs: Javier Fernández-Catalá, Harishchandra Singh, Shubo Wang, Hannu Huhtinen, Petriina Paturi, Yang Bai, Wei Cao
Publié dans: ACS Applied Nano Materials, Numéro 6, 2023, Page(s) 4887–4897, ISSN 2574-0970
Éditeur: ACS Publications
DOI: 10.1021/acsanm.3c00630

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

Auteurs: Rossella Greco, Romain Botella, Javier Fernández-Catalá
Publié dans: Hydrogen, Numéro 4, 2023, Page(s) 620-643, ISSN 2673-4141
Éditeur: Multidisciplinary Digital Publishing Institute
DOI: 10.3390/hydrogen4030040

One-pot hydrothermal synthesis of FeNbO4 microspheres for effective sonocatalysis

Auteurs: Min He, Defa Li, Yu Liu, Taohai Li, Feng Li, Javier Fernández-Catalá, Wei Cao
Publié dans: New Journal of Chemistry, Numéro 48, 2024, Page(s) 6704-6713, ISSN 1144-0546
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3nj05239g

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

Auteurs: Jun Teng, Feng Li, Taohai Li, Marko Huttula, Wei Cao
Publié dans: Materials Today Advances, Numéro 22, 2024, Page(s) 100503, ISSN 2590-0498
Éditeur: Elsevier Ltd
DOI: 10.1016/j.mtadv.2024.100503

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

Auteurs: Linjing Li, Feng Li, Taohai Li, Wei Cao
Publié dans: RSC advances, Numéro 13, 2023, Page(s) 15981 - 15992, ISSN 2046-2069
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3ra02531d

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

Auteurs: Jiefeng Meng, Feng Li, Taohai Li, Wei Cao
Publié dans: Applied Surface Science, Numéro 614, 2023, Page(s) 156183, ISSN 0169-4332
Éditeur: Elsevier BV
DOI: 10.1016/j.apsusc.2022.156183

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

Auteurs: Gabriel Alemany-Molina, Javier Fernández-Catalá, Wei Cao, Emilia Morallón, Diego Cazorla-Amorós
Publié dans: Materials today chemistry, Numéro 35, 2024, Page(s) 101858, ISSN 2468-5194
Éditeur: Elsevier Ltd
DOI: 10.1016/j.mtchem.2023.101858

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

Auteurs: Romain Botella, Andrey A. Kistanov, Wei Cao
Publié dans: Journal of Chemical Information and Modeling, Numéro 63, 2023, Page(s) 6212–6223, ISSN 1549-9596
Éditeur: American Chemical Society
DOI: 10.1021/acs.jcim.3c01509

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

Auteurs: R. Botella, W. Cao, J. Celis, J. Fernández-Catalá, R. Greco, L. Lu, V. Pankratova, F. Temerov
Publié dans: Journal of Physics: Condensed Matter, Numéro 36, 2024, Page(s) 141501, ISSN 0953-8984
Éditeur: 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

Auteurs: Xiao Wang, Meng Zhang, Wei Cao
Publié dans: Physical Chemistry Chemical Physics, Numéro 26, 2024, Page(s) 11708-11714, ISSN 1463-9076
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3cp05478k

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

Auteurs: C.-H. Yu, Z-M. Qiang, S.-W. Yu, T.-H.Li, F. Li, M. Huttula, W. Cao
Publié dans: Materials Today Chemistry, Numéro 26, 2022, Page(s) 100988, ISSN 2468-5194
Éditeur: Elsevier Ltd
DOI: 10.1016/j.mtchem.2022.100988

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

Auteurs: Jing Luo, Zhaoxia Shi, Jiefeng Meng, Feng Li, Taohai Li, Meng Zhang, Rossella Greco, Wei Cao
Publié dans: Journal of industrial and engineering chemistry, Numéro 124, 2023, Page(s) 250-262, ISSN 1226-086X
Éditeur: Korean Society of Industrial Engineering Chemistry
DOI: 10.1016/j.jiec.2023.04.014

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

Auteurs: Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Publié dans: Catalysts, Numéro 20734344, 2022, Page(s) 1137, ISSN 2073-4344
Éditeur: 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

Auteurs: Shangshu Liu, Feng Li, Taohai Li, Wei Cao
Publié dans: Journal of Colloid and Interface Science, Numéro 642, 2023, Page(s) 100-111, ISSN 0021-9797
Éditeur: 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

Auteurs: Chao Wang, Wen Li, Andrey A. Kistanov, Harishchandra Singh, Yves Kayser, Wei Cao, Baoyou Geng
Publié dans: Journal of Colloid and Interface Science, Numéro 628, 2022, Page(s) 398-406, ISSN 0021-9797
Éditeur: 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

Auteurs: Filipp Temerov, Rossella Greco, Joran Celis, Salvador Eslava, Weimin Wang, Takashi Yamamoto, Wei Cao
Publié dans: Results in materials, Numéro 22, 2024, Page(s) 100569, ISSN 2590-048X
Éditeur: 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

Auteurs: Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen, Hegoi Manzano, Wei Cao, Paivo Kinnunen
Publié dans: The Journal of Physical Chemistry C: Energy, Materials, and Catalysis, Numéro 126, 2022, Page(s) 6196–6206, ISSN 1932-7447
Éditeur: 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

Auteurs: Vasilii A. Balanov, Filipp Temerov, Vladimir Pankratov, Wei Cao, Yang Bai
Publié dans: Solar RRL, Numéro 7, 2023, Page(s) 2200995, ISSN 2367-198X
Éditeur: John Wiley & Sons
DOI: 10.1002/solr.202200995

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

Auteurs: Rossella Greco, Lucia Baxauli-Marin, Filipp Temerov, Matyas Daboczi, Salvador Eslava, Yuran Niu, Alexei Zakharov, Meng Zhang, Taohai Li, Wei Cao
Publié dans: Chemical Engineering Journal, Numéro 471, 2023, Page(s) 144569, ISSN 1385-8947
Éditeur: Elsevier BV
DOI: 10.1016/j.cej.2023.144569

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

Auteurs: Ekta Rani, Vandna K. Gupta, Md Thasfiquzzaman, Parisa Talebi, Anna Martinelli, Yuran Niu, Alexei Zakharov, Marko Huttula, Minna Patanen, Harishchandra Singh, Wei Cao
Publié dans: Journal of Catalysis, Numéro 00219517, 2022, Page(s) 199-208, ISSN 0021-9517
Éditeur: 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

Auteurs: Manoj Kumar Ghosalya, Parisa Talebi, Harishchandra Singh, Alexander Klyushin, Esko Kokkonen, Mohammed Alaoui Mansouri, Marko Huttula, Wei Cao, Samuli Urpelainen
Publié dans: Catalysis Science & Technology, Numéro 14, 2024, Page(s) 3029-3040, ISSN 2044-4761
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d4cy00204k

Shape-Controlled Synthesis of Cu3TeO6 Nanoparticles with Photocatalytic Features

Auteurs: Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Publié dans: Crystal Growth & Design, Numéro 23, 2023, Page(s) 8828–8837, ISSN 1528-7483
Éditeur: American Chemical Society
DOI: 10.1021/acs.cgd.3c00929

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

Auteurs: Yasmine Baghdadi, Filipp Temerov, Junyi Cui, Matyas Daboczi, Eduardo Rattner, Michael Segundo Sena, Ioanna Itskou, Salvador Eslava
Publié dans: Chemistry of Materials, Numéro 35, 2023, Page(s) 8607–8620, ISSN 0897-4756
Éditeur: American Chemical Society
DOI: 10.1021/acs.chemmater.3c01635

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

Auteurs: Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella, Artur Davletshin, Wei Cao
Publié dans: The Journal of Physical Chemistry Letters, Numéro 13, 2022, Page(s) 2165−2172, ISSN 1948-7185
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpclett.2c00367

Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning

Auteurs: R. Botella, J. Fernández-Catalá, W. Cao
Publié dans: Materials letters, Numéro 352, 2023, Page(s) 135070, ISSN 0167-577X
Éditeur: Elsevier BV
DOI: 10.1016/j.matlet.2023.135070

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

Auteurs: Leran Lu, Romain Botella, Wei Cao
Publié dans: physica status solidi (b) – basic solid state physics, Numéro 260, 2023, Page(s) 2300001, ISSN 0370-1972
Éditeur: John Wiley & Sons Ltd.
DOI: 10.1002/pssb.202300001

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

Auteurs: Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Publié dans: Advanced Materials, Numéro 35, 2023, Page(s) 2304350, ISSN 0935-9648
Éditeur: 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

Auteurs: Parisa Talebi, Andrey A. Kistanov, Ekta Rani, Harischandra Singh, Vladimir Pankratov, Viktorija Pankratova, Graham King, Marko Huttula, Wei Cao
Publié dans: Applied energy, Numéro 322, 2022, Page(s) 119461, ISSN 0306-2619
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2022.119461

A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations

Auteurs: Romain Botella, Andrey A. Kistanov
Publié dans: The Journal of Physical Chemistry Letters, Numéro 14, 2023, Page(s) 3691–3697, ISSN 1948-7185
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00665

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

Auteurs: Javier Fernández-Catalá, Andrey A. Kistanov, Yang Bai, Harishchandra Singh, Wei Cao
Publié dans: npj 2d Materials and Applications, Numéro 7, 2023, Page(s) 48, ISSN 2397-7132
Éditeur: 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

Auteurs: Joran Celis, Wei Cao
Publié dans: Journal of Chemical Theory and Computation, Numéro 20, 2024, Page(s) 2377–2389, ISSN 1549-9618
Éditeur: American Chemical Society
DOI: 10.1021/acs.jctc.3c00932

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

Auteurs: A. Kistanov, R. Botella, E. Korznikova, A. Smirnov, S. Zhuk
Publié dans: 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
Éditeur: Belarusian State University

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