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

Rezultaty

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

Publikacje

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

Autorzy: Parisa Talebi, Rossella Greco, Takashi Yamamoto, Mahdiyeh Zeynali, Saeid Asgharizadeh, Wei Cao
Opublikowane w: Materials Advances, Numer 5, 2024, Strona(/y) 2968-2973, ISSN 2633-5409
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d3ma00977g

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

Autorzy: 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
Opublikowane w: Chemistry of Materials, Numer 33, 2021, Strona(/y) 9306–9316, ISSN 0897-4756
Wydawca: 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

Autorzy: Jiefeng Meng, Min He, Feng Li, Taohai Li, Zhongjia Huang, Wei Cao
Opublikowane w: Inorganica Chimica Acta, Numer 557, 2023, Strona(/y) 121701, ISSN 0020-1693
Wydawca: Elsevier BV
DOI: 10.1016/j.ica.2023.121701

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

Autorzy: Xinying Shi, Meng Zhang, Xiao Wang, Andrey A. Kistanov, Taohai Li, Wei Cao, Marko Huttula
Opublikowane w: Nanoscale, Numer 14, 2022, Strona(/y) 8601 - 8610, ISSN 2040-3364
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d2nr01489k

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

Autorzy: Javier Fernández-Catalá, Harishchandra Singh, Shubo Wang, Hannu Huhtinen, Petriina Paturi, Yang Bai, Wei Cao
Opublikowane w: ACS Applied Nano Materials, Numer 6, 2023, Strona(/y) 4887–4897, ISSN 2574-0970
Wydawca: ACS Publications
DOI: 10.1021/acsanm.3c00630

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

Autorzy: Rossella Greco, Romain Botella, Javier Fernández-Catalá
Opublikowane w: Hydrogen, Numer 4, 2023, Strona(/y) 620-643, ISSN 2673-4141
Wydawca: Multidisciplinary Digital Publishing Institute
DOI: 10.3390/hydrogen4030040

One-pot hydrothermal synthesis of FeNbO4 microspheres for effective sonocatalysis

Autorzy: Min He, Defa Li, Yu Liu, Taohai Li, Feng Li, Javier Fernández-Catalá, Wei Cao
Opublikowane w: New Journal of Chemistry, Numer 48, 2024, Strona(/y) 6704-6713, ISSN 1144-0546
Wydawca: 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

Autorzy: Jun Teng, Feng Li, Taohai Li, Marko Huttula, Wei Cao
Opublikowane w: Materials Today Advances, Numer 22, 2024, Strona(/y) 100503, ISSN 2590-0498
Wydawca: Elsevier Ltd
DOI: 10.1016/j.mtadv.2024.100503

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

Autorzy: Linjing Li, Feng Li, Taohai Li, Wei Cao
Opublikowane w: RSC advances, Numer 13, 2023, Strona(/y) 15981 - 15992, ISSN 2046-2069
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d3ra02531d

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

Autorzy: Jiefeng Meng, Feng Li, Taohai Li, Wei Cao
Opublikowane w: Applied Surface Science, Numer 614, 2023, Strona(/y) 156183, ISSN 0169-4332
Wydawca: Elsevier BV
DOI: 10.1016/j.apsusc.2022.156183

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

Autorzy: Gabriel Alemany-Molina, Javier Fernández-Catalá, Wei Cao, Emilia Morallón, Diego Cazorla-Amorós
Opublikowane w: Materials today chemistry, Numer 35, 2024, Strona(/y) 101858, ISSN 2468-5194
Wydawca: Elsevier Ltd
DOI: 10.1016/j.mtchem.2023.101858

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

Autorzy: Romain Botella, Andrey A. Kistanov, Wei Cao
Opublikowane w: Journal of Chemical Information and Modeling, Numer 63, 2023, Strona(/y) 6212–6223, ISSN 1549-9596
Wydawca: American Chemical Society
DOI: 10.1021/acs.jcim.3c01509

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

Autorzy: R. Botella, W. Cao, J. Celis, J. Fernández-Catalá, R. Greco, L. Lu, V. Pankratova, F. Temerov
Opublikowane w: Journal of Physics: Condensed Matter, Numer 36, 2024, Strona(/y) 141501, ISSN 0953-8984
Wydawca: 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

Autorzy: Xiao Wang, Meng Zhang, Wei Cao
Opublikowane w: Physical Chemistry Chemical Physics, Numer 26, 2024, Strona(/y) 11708-11714, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d3cp05478k

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

Autorzy: C.-H. Yu, Z-M. Qiang, S.-W. Yu, T.-H.Li, F. Li, M. Huttula, W. Cao
Opublikowane w: Materials Today Chemistry, Numer 26, 2022, Strona(/y) 100988, ISSN 2468-5194
Wydawca: 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

Autorzy: Jing Luo, Zhaoxia Shi, Jiefeng Meng, Feng Li, Taohai Li, Meng Zhang, Rossella Greco, Wei Cao
Opublikowane w: Journal of industrial and engineering chemistry, Numer 124, 2023, Strona(/y) 250-262, ISSN 1226-086X
Wydawca: Korean Society of Industrial Engineering Chemistry
DOI: 10.1016/j.jiec.2023.04.014

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

Autorzy: Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Opublikowane w: Catalysts, Numer 20734344, 2022, Strona(/y) 1137, ISSN 2073-4344
Wydawca: 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

Autorzy: Shangshu Liu, Feng Li, Taohai Li, Wei Cao
Opublikowane w: Journal of Colloid and Interface Science, Numer 642, 2023, Strona(/y) 100-111, ISSN 0021-9797
Wydawca: 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

Autorzy: Chao Wang, Wen Li, Andrey A. Kistanov, Harishchandra Singh, Yves Kayser, Wei Cao, Baoyou Geng
Opublikowane w: Journal of Colloid and Interface Science, Numer 628, 2022, Strona(/y) 398-406, ISSN 0021-9797
Wydawca: 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

Autorzy: Filipp Temerov, Rossella Greco, Joran Celis, Salvador Eslava, Weimin Wang, Takashi Yamamoto, Wei Cao
Opublikowane w: Results in materials, Numer 22, 2024, Strona(/y) 100569, ISSN 2590-048X
Wydawca: 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

Autorzy: Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen, Hegoi Manzano, Wei Cao, Paivo Kinnunen
Opublikowane w: The Journal of Physical Chemistry C: Energy, Materials, and Catalysis, Numer 126, 2022, Strona(/y) 6196–6206, ISSN 1932-7447
Wydawca: 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

Autorzy: Vasilii A. Balanov, Filipp Temerov, Vladimir Pankratov, Wei Cao, Yang Bai
Opublikowane w: Solar RRL, Numer 7, 2023, Strona(/y) 2200995, ISSN 2367-198X
Wydawca: John Wiley & Sons
DOI: 10.1002/solr.202200995

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

Autorzy: Rossella Greco, Lucia Baxauli-Marin, Filipp Temerov, Matyas Daboczi, Salvador Eslava, Yuran Niu, Alexei Zakharov, Meng Zhang, Taohai Li, Wei Cao
Opublikowane w: Chemical Engineering Journal, Numer 471, 2023, Strona(/y) 144569, ISSN 1385-8947
Wydawca: Elsevier BV
DOI: 10.1016/j.cej.2023.144569

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

Autorzy: Ekta Rani, Vandna K. Gupta, Md Thasfiquzzaman, Parisa Talebi, Anna Martinelli, Yuran Niu, Alexei Zakharov, Marko Huttula, Minna Patanen, Harishchandra Singh, Wei Cao
Opublikowane w: Journal of Catalysis, Numer 00219517, 2022, Strona(/y) 199-208, ISSN 0021-9517
Wydawca: 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

Autorzy: Manoj Kumar Ghosalya, Parisa Talebi, Harishchandra Singh, Alexander Klyushin, Esko Kokkonen, Mohammed Alaoui Mansouri, Marko Huttula, Wei Cao, Samuli Urpelainen
Opublikowane w: Catalysis Science & Technology, Numer 14, 2024, Strona(/y) 3029-3040, ISSN 2044-4761
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d4cy00204k

Shape-Controlled Synthesis of Cu3TeO6 Nanoparticles with Photocatalytic Features

Autorzy: Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Opublikowane w: Crystal Growth & Design, Numer 23, 2023, Strona(/y) 8828–8837, ISSN 1528-7483
Wydawca: American Chemical Society
DOI: 10.1021/acs.cgd.3c00929

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

Autorzy: Yasmine Baghdadi, Filipp Temerov, Junyi Cui, Matyas Daboczi, Eduardo Rattner, Michael Segundo Sena, Ioanna Itskou, Salvador Eslava
Opublikowane w: Chemistry of Materials, Numer 35, 2023, Strona(/y) 8607–8620, ISSN 0897-4756
Wydawca: American Chemical Society
DOI: 10.1021/acs.chemmater.3c01635

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

Autorzy: Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella, Artur Davletshin, Wei Cao
Opublikowane w: The Journal of Physical Chemistry Letters, Numer 13, 2022, Strona(/y) 2165−2172, ISSN 1948-7185
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpclett.2c00367

Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning

Autorzy: R. Botella, J. Fernández-Catalá, W. Cao
Opublikowane w: Materials letters, Numer 352, 2023, Strona(/y) 135070, ISSN 0167-577X
Wydawca: Elsevier BV
DOI: 10.1016/j.matlet.2023.135070

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

Autorzy: Leran Lu, Romain Botella, Wei Cao
Opublikowane w: physica status solidi (b) – basic solid state physics, Numer 260, 2023, Strona(/y) 2300001, ISSN 0370-1972
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/pssb.202300001

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

Autorzy: Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Opublikowane w: Advanced Materials, Numer 35, 2023, Strona(/y) 2304350, ISSN 0935-9648
Wydawca: 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

Autorzy: Parisa Talebi, Andrey A. Kistanov, Ekta Rani, Harischandra Singh, Vladimir Pankratov, Viktorija Pankratova, Graham King, Marko Huttula, Wei Cao
Opublikowane w: Applied energy, Numer 322, 2022, Strona(/y) 119461, ISSN 0306-2619
Wydawca: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2022.119461

A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations

Autorzy: Romain Botella, Andrey A. Kistanov
Opublikowane w: The Journal of Physical Chemistry Letters, Numer 14, 2023, Strona(/y) 3691–3697, ISSN 1948-7185
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00665

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

Autorzy: Javier Fernández-Catalá, Andrey A. Kistanov, Yang Bai, Harishchandra Singh, Wei Cao
Opublikowane w: npj 2d Materials and Applications, Numer 7, 2023, Strona(/y) 48, ISSN 2397-7132
Wydawca: 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

Autorzy: Joran Celis, Wei Cao
Opublikowane w: Journal of Chemical Theory and Computation, Numer 20, 2024, Strona(/y) 2377–2389, ISSN 1549-9618
Wydawca: American Chemical Society
DOI: 10.1021/acs.jctc.3c00932

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

Autorzy: A. Kistanov, R. Botella, E. Korznikova, A. Smirnov, S. Zhuk
Opublikowane w: NDTCS : XIX International Workshop on New Approaches to High-Tech: Nano-Design, Technology, Computer Simulations: Book of Abstracts, 2021, Strona(/y) 84-85, ISBN 978-985-543-633-2
Wydawca: Belarusian State University

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