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

Risultati finali

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

Pubblicazioni

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

Autori: Parisa Talebi, Rossella Greco, Takashi Yamamoto, Mahdiyeh Zeynali, Saeid Asgharizadeh, Wei Cao
Pubblicato in: Materials Advances, Numero 5, 2024, Pagina/e 2968-2973, ISSN 2633-5409
Editore: Royal Society of Chemistry
DOI: 10.1039/d3ma00977g

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

Autori: 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
Pubblicato in: Chemistry of Materials, Numero 33, 2021, Pagina/e 9306–9316, ISSN 0897-4756
Editore: 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

Autori: Jiefeng Meng, Min He, Feng Li, Taohai Li, Zhongjia Huang, Wei Cao
Pubblicato in: Inorganica Chimica Acta, Numero 557, 2023, Pagina/e 121701, ISSN 0020-1693
Editore: Elsevier BV
DOI: 10.1016/j.ica.2023.121701

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

Autori: Xinying Shi, Meng Zhang, Xiao Wang, Andrey A. Kistanov, Taohai Li, Wei Cao, Marko Huttula
Pubblicato in: Nanoscale, Numero 14, 2022, Pagina/e 8601 - 8610, ISSN 2040-3364
Editore: Royal Society of Chemistry
DOI: 10.1039/d2nr01489k

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

Autori: Javier Fernández-Catalá, Harishchandra Singh, Shubo Wang, Hannu Huhtinen, Petriina Paturi, Yang Bai, Wei Cao
Pubblicato in: ACS Applied Nano Materials, Numero 6, 2023, Pagina/e 4887–4897, ISSN 2574-0970
Editore: ACS Publications
DOI: 10.1021/acsanm.3c00630

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

Autori: Rossella Greco, Romain Botella, Javier Fernández-Catalá
Pubblicato in: Hydrogen, Numero 4, 2023, Pagina/e 620-643, ISSN 2673-4141
Editore: Multidisciplinary Digital Publishing Institute
DOI: 10.3390/hydrogen4030040

One-pot hydrothermal synthesis of FeNbO4 microspheres for effective sonocatalysis

Autori: Min He, Defa Li, Yu Liu, Taohai Li, Feng Li, Javier Fernández-Catalá, Wei Cao
Pubblicato in: New Journal of Chemistry, Numero 48, 2024, Pagina/e 6704-6713, ISSN 1144-0546
Editore: 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

Autori: Jun Teng, Feng Li, Taohai Li, Marko Huttula, Wei Cao
Pubblicato in: Materials Today Advances, Numero 22, 2024, Pagina/e 100503, ISSN 2590-0498
Editore: Elsevier Ltd
DOI: 10.1016/j.mtadv.2024.100503

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

Autori: Linjing Li, Feng Li, Taohai Li, Wei Cao
Pubblicato in: RSC advances, Numero 13, 2023, Pagina/e 15981 - 15992, ISSN 2046-2069
Editore: Royal Society of Chemistry
DOI: 10.1039/d3ra02531d

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

Autori: Jiefeng Meng, Feng Li, Taohai Li, Wei Cao
Pubblicato in: Applied Surface Science, Numero 614, 2023, Pagina/e 156183, ISSN 0169-4332
Editore: Elsevier BV
DOI: 10.1016/j.apsusc.2022.156183

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

Autori: Gabriel Alemany-Molina, Javier Fernández-Catalá, Wei Cao, Emilia Morallón, Diego Cazorla-Amorós
Pubblicato in: Materials today chemistry, Numero 35, 2024, Pagina/e 101858, ISSN 2468-5194
Editore: Elsevier Ltd
DOI: 10.1016/j.mtchem.2023.101858

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

Autori: Romain Botella, Andrey A. Kistanov, Wei Cao
Pubblicato in: Journal of Chemical Information and Modeling, Numero 63, 2023, Pagina/e 6212–6223, ISSN 1549-9596
Editore: American Chemical Society
DOI: 10.1021/acs.jcim.3c01509

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

Autori: R. Botella, W. Cao, J. Celis, J. Fernández-Catalá, R. Greco, L. Lu, V. Pankratova, F. Temerov
Pubblicato in: Journal of Physics: Condensed Matter, Numero 36, 2024, Pagina/e 141501, ISSN 0953-8984
Editore: 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

Autori: Xiao Wang, Meng Zhang, Wei Cao
Pubblicato in: Physical Chemistry Chemical Physics, Numero 26, 2024, Pagina/e 11708-11714, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d3cp05478k

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

Autori: C.-H. Yu, Z-M. Qiang, S.-W. Yu, T.-H.Li, F. Li, M. Huttula, W. Cao
Pubblicato in: Materials Today Chemistry, Numero 26, 2022, Pagina/e 100988, ISSN 2468-5194
Editore: 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

Autori: Jing Luo, Zhaoxia Shi, Jiefeng Meng, Feng Li, Taohai Li, Meng Zhang, Rossella Greco, Wei Cao
Pubblicato in: Journal of industrial and engineering chemistry, Numero 124, 2023, Pagina/e 250-262, ISSN 1226-086X
Editore: Korean Society of Industrial Engineering Chemistry
DOI: 10.1016/j.jiec.2023.04.014

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

Autori: Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Pubblicato in: Catalysts, Numero 20734344, 2022, Pagina/e 1137, ISSN 2073-4344
Editore: 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

Autori: Shangshu Liu, Feng Li, Taohai Li, Wei Cao
Pubblicato in: Journal of Colloid and Interface Science, Numero 642, 2023, Pagina/e 100-111, ISSN 0021-9797
Editore: 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

Autori: Chao Wang, Wen Li, Andrey A. Kistanov, Harishchandra Singh, Yves Kayser, Wei Cao, Baoyou Geng
Pubblicato in: Journal of Colloid and Interface Science, Numero 628, 2022, Pagina/e 398-406, ISSN 0021-9797
Editore: 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

Autori: Filipp Temerov, Rossella Greco, Joran Celis, Salvador Eslava, Weimin Wang, Takashi Yamamoto, Wei Cao
Pubblicato in: Results in materials, Numero 22, 2024, Pagina/e 100569, ISSN 2590-048X
Editore: 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

Autori: Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen, Hegoi Manzano, Wei Cao, Paivo Kinnunen
Pubblicato in: The Journal of Physical Chemistry C: Energy, Materials, and Catalysis, Numero 126, 2022, Pagina/e 6196–6206, ISSN 1932-7447
Editore: 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

Autori: Vasilii A. Balanov, Filipp Temerov, Vladimir Pankratov, Wei Cao, Yang Bai
Pubblicato in: Solar RRL, Numero 7, 2023, Pagina/e 2200995, ISSN 2367-198X
Editore: John Wiley & Sons
DOI: 10.1002/solr.202200995

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

Autori: Rossella Greco, Lucia Baxauli-Marin, Filipp Temerov, Matyas Daboczi, Salvador Eslava, Yuran Niu, Alexei Zakharov, Meng Zhang, Taohai Li, Wei Cao
Pubblicato in: Chemical Engineering Journal, Numero 471, 2023, Pagina/e 144569, ISSN 1385-8947
Editore: Elsevier BV
DOI: 10.1016/j.cej.2023.144569

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

Autori: Ekta Rani, Vandna K. Gupta, Md Thasfiquzzaman, Parisa Talebi, Anna Martinelli, Yuran Niu, Alexei Zakharov, Marko Huttula, Minna Patanen, Harishchandra Singh, Wei Cao
Pubblicato in: Journal of Catalysis, Numero 00219517, 2022, Pagina/e 199-208, ISSN 0021-9517
Editore: 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

Autori: Manoj Kumar Ghosalya, Parisa Talebi, Harishchandra Singh, Alexander Klyushin, Esko Kokkonen, Mohammed Alaoui Mansouri, Marko Huttula, Wei Cao, Samuli Urpelainen
Pubblicato in: Catalysis Science & Technology, Numero 14, 2024, Pagina/e 3029-3040, ISSN 2044-4761
Editore: Royal Society of Chemistry
DOI: 10.1039/d4cy00204k

Shape-Controlled Synthesis of Cu3TeO6 Nanoparticles with Photocatalytic Features

Autori: Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Pubblicato in: Crystal Growth & Design, Numero 23, 2023, Pagina/e 8828–8837, ISSN 1528-7483
Editore: American Chemical Society
DOI: 10.1021/acs.cgd.3c00929

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

Autori: Yasmine Baghdadi, Filipp Temerov, Junyi Cui, Matyas Daboczi, Eduardo Rattner, Michael Segundo Sena, Ioanna Itskou, Salvador Eslava
Pubblicato in: Chemistry of Materials, Numero 35, 2023, Pagina/e 8607–8620, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.3c01635

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

Autori: Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella, Artur Davletshin, Wei Cao
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 13, 2022, Pagina/e 2165−2172, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.2c00367

Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning

Autori: R. Botella, J. Fernández-Catalá, W. Cao
Pubblicato in: Materials letters, Numero 352, 2023, Pagina/e 135070, ISSN 0167-577X
Editore: Elsevier BV
DOI: 10.1016/j.matlet.2023.135070

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

Autori: Leran Lu, Romain Botella, Wei Cao
Pubblicato in: physica status solidi (b) – basic solid state physics, Numero 260, 2023, Pagina/e 2300001, ISSN 0370-1972
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/pssb.202300001

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

Autori: Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Pubblicato in: Advanced Materials, Numero 35, 2023, Pagina/e 2304350, ISSN 0935-9648
Editore: 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

Autori: Parisa Talebi, Andrey A. Kistanov, Ekta Rani, Harischandra Singh, Vladimir Pankratov, Viktorija Pankratova, Graham King, Marko Huttula, Wei Cao
Pubblicato in: Applied energy, Numero 322, 2022, Pagina/e 119461, ISSN 0306-2619
Editore: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2022.119461

A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations

Autori: Romain Botella, Andrey A. Kistanov
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 14, 2023, Pagina/e 3691–3697, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00665

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

Autori: Javier Fernández-Catalá, Andrey A. Kistanov, Yang Bai, Harishchandra Singh, Wei Cao
Pubblicato in: npj 2d Materials and Applications, Numero 7, 2023, Pagina/e 48, ISSN 2397-7132
Editore: 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

Autori: Joran Celis, Wei Cao
Pubblicato in: Journal of Chemical Theory and Computation, Numero 20, 2024, Pagina/e 2377–2389, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.3c00932

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

Autori: A. Kistanov, R. Botella, E. Korznikova, A. Smirnov, S. Zhuk
Pubblicato in: NDTCS : XIX International Workshop on New Approaches to High-Tech: Nano-Design, Technology, Computer Simulations: Book of Abstracts, 2021, Pagina/e 84-85, ISBN 978-985-543-633-2
Editore: Belarusian State University

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