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

Resultado final

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

Publicaciones

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

Autores: Parisa Talebi, Rossella Greco, Takashi Yamamoto, Mahdiyeh Zeynali, Saeid Asgharizadeh, Wei Cao
Publicado en: Materials Advances, Edición 5, 2024, Página(s) 2968-2973, ISSN 2633-5409
Editor: Royal Society of Chemistry
DOI: 10.1039/d3ma00977g

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

Autores: 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
Publicado en: Chemistry of Materials, Edición 33, 2021, Página(s) 9306–9316, ISSN 0897-4756
Editor: 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

Autores: Jiefeng Meng, Min He, Feng Li, Taohai Li, Zhongjia Huang, Wei Cao
Publicado en: Inorganica Chimica Acta, Edición 557, 2023, Página(s) 121701, ISSN 0020-1693
Editor: Elsevier BV
DOI: 10.1016/j.ica.2023.121701

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

Autores: Xinying Shi, Meng Zhang, Xiao Wang, Andrey A. Kistanov, Taohai Li, Wei Cao, Marko Huttula
Publicado en: Nanoscale, Edición 14, 2022, Página(s) 8601 - 8610, ISSN 2040-3364
Editor: Royal Society of Chemistry
DOI: 10.1039/d2nr01489k

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

Autores: Javier Fernández-Catalá, Harishchandra Singh, Shubo Wang, Hannu Huhtinen, Petriina Paturi, Yang Bai, Wei Cao
Publicado en: ACS Applied Nano Materials, Edición 6, 2023, Página(s) 4887–4897, ISSN 2574-0970
Editor: ACS Publications
DOI: 10.1021/acsanm.3c00630

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

Autores: Rossella Greco, Romain Botella, Javier Fernández-Catalá
Publicado en: Hydrogen, Edición 4, 2023, Página(s) 620-643, ISSN 2673-4141
Editor: Multidisciplinary Digital Publishing Institute
DOI: 10.3390/hydrogen4030040

One-pot hydrothermal synthesis of FeNbO4 microspheres for effective sonocatalysis

Autores: Min He, Defa Li, Yu Liu, Taohai Li, Feng Li, Javier Fernández-Catalá, Wei Cao
Publicado en: New Journal of Chemistry, Edición 48, 2024, Página(s) 6704-6713, ISSN 1144-0546
Editor: 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

Autores: Jun Teng, Feng Li, Taohai Li, Marko Huttula, Wei Cao
Publicado en: Materials Today Advances, Edición 22, 2024, Página(s) 100503, ISSN 2590-0498
Editor: Elsevier Ltd
DOI: 10.1016/j.mtadv.2024.100503

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

Autores: Linjing Li, Feng Li, Taohai Li, Wei Cao
Publicado en: RSC advances, Edición 13, 2023, Página(s) 15981 - 15992, ISSN 2046-2069
Editor: Royal Society of Chemistry
DOI: 10.1039/d3ra02531d

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

Autores: Jiefeng Meng, Feng Li, Taohai Li, Wei Cao
Publicado en: Applied Surface Science, Edición 614, 2023, Página(s) 156183, ISSN 0169-4332
Editor: Elsevier BV
DOI: 10.1016/j.apsusc.2022.156183

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

Autores: Gabriel Alemany-Molina, Javier Fernández-Catalá, Wei Cao, Emilia Morallón, Diego Cazorla-Amorós
Publicado en: Materials today chemistry, Edición 35, 2024, Página(s) 101858, ISSN 2468-5194
Editor: Elsevier Ltd
DOI: 10.1016/j.mtchem.2023.101858

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

Autores: Romain Botella, Andrey A. Kistanov, Wei Cao
Publicado en: Journal of Chemical Information and Modeling, Edición 63, 2023, Página(s) 6212–6223, ISSN 1549-9596
Editor: American Chemical Society
DOI: 10.1021/acs.jcim.3c01509

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

Autores: R. Botella, W. Cao, J. Celis, J. Fernández-Catalá, R. Greco, L. Lu, V. Pankratova, F. Temerov
Publicado en: Journal of Physics: Condensed Matter, Edición 36, 2024, Página(s) 141501, ISSN 0953-8984
Editor: 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

Autores: Xiao Wang, Meng Zhang, Wei Cao
Publicado en: Physical Chemistry Chemical Physics, Edición 26, 2024, Página(s) 11708-11714, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cp05478k

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

Autores: C.-H. Yu, Z-M. Qiang, S.-W. Yu, T.-H.Li, F. Li, M. Huttula, W. Cao
Publicado en: Materials Today Chemistry, Edición 26, 2022, Página(s) 100988, ISSN 2468-5194
Editor: 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

Autores: Jing Luo, Zhaoxia Shi, Jiefeng Meng, Feng Li, Taohai Li, Meng Zhang, Rossella Greco, Wei Cao
Publicado en: Journal of industrial and engineering chemistry, Edición 124, 2023, Página(s) 250-262, ISSN 1226-086X
Editor: Korean Society of Industrial Engineering Chemistry
DOI: 10.1016/j.jiec.2023.04.014

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

Autores: Javier Fernández-Catalá, Rossella Greco, Miriam Navlani-García, Wei Cao, Ángel Berenguer-Murcia, Diego Cazorla-Amorós
Publicado en: Catalysts, Edición 20734344, 2022, Página(s) 1137, ISSN 2073-4344
Editor: 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

Autores: Shangshu Liu, Feng Li, Taohai Li, Wei Cao
Publicado en: Journal of Colloid and Interface Science, Edición 642, 2023, Página(s) 100-111, ISSN 0021-9797
Editor: 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

Autores: Chao Wang, Wen Li, Andrey A. Kistanov, Harishchandra Singh, Yves Kayser, Wei Cao, Baoyou Geng
Publicado en: Journal of Colloid and Interface Science, Edición 628, 2022, Página(s) 398-406, ISSN 0021-9797
Editor: 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

Autores: Filipp Temerov, Rossella Greco, Joran Celis, Salvador Eslava, Weimin Wang, Takashi Yamamoto, Wei Cao
Publicado en: Results in materials, Edición 22, 2024, Página(s) 100569, ISSN 2590-048X
Editor: 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

Autores: Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen, Hegoi Manzano, Wei Cao, Paivo Kinnunen
Publicado en: The Journal of Physical Chemistry C: Energy, Materials, and Catalysis, Edición 126, 2022, Página(s) 6196–6206, ISSN 1932-7447
Editor: 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

Autores: Vasilii A. Balanov, Filipp Temerov, Vladimir Pankratov, Wei Cao, Yang Bai
Publicado en: Solar RRL, Edición 7, 2023, Página(s) 2200995, ISSN 2367-198X
Editor: John Wiley & Sons
DOI: 10.1002/solr.202200995

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

Autores: Rossella Greco, Lucia Baxauli-Marin, Filipp Temerov, Matyas Daboczi, Salvador Eslava, Yuran Niu, Alexei Zakharov, Meng Zhang, Taohai Li, Wei Cao
Publicado en: Chemical Engineering Journal, Edición 471, 2023, Página(s) 144569, ISSN 1385-8947
Editor: Elsevier BV
DOI: 10.1016/j.cej.2023.144569

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

Autores: Ekta Rani, Vandna K. Gupta, Md Thasfiquzzaman, Parisa Talebi, Anna Martinelli, Yuran Niu, Alexei Zakharov, Marko Huttula, Minna Patanen, Harishchandra Singh, Wei Cao
Publicado en: Journal of Catalysis, Edición 00219517, 2022, Página(s) 199-208, ISSN 0021-9517
Editor: 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

Autores: Manoj Kumar Ghosalya, Parisa Talebi, Harishchandra Singh, Alexander Klyushin, Esko Kokkonen, Mohammed Alaoui Mansouri, Marko Huttula, Wei Cao, Samuli Urpelainen
Publicado en: Catalysis Science & Technology, Edición 14, 2024, Página(s) 3029-3040, ISSN 2044-4761
Editor: Royal Society of Chemistry
DOI: 10.1039/d4cy00204k

Shape-Controlled Synthesis of Cu3TeO6 Nanoparticles with Photocatalytic Features

Autores: Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Publicado en: Crystal Growth & Design, Edición 23, 2023, Página(s) 8828–8837, ISSN 1528-7483
Editor: American Chemical Society
DOI: 10.1021/acs.cgd.3c00929

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

Autores: Yasmine Baghdadi, Filipp Temerov, Junyi Cui, Matyas Daboczi, Eduardo Rattner, Michael Segundo Sena, Ioanna Itskou, Salvador Eslava
Publicado en: Chemistry of Materials, Edición 35, 2023, Página(s) 8607–8620, ISSN 0897-4756
Editor: American Chemical Society
DOI: 10.1021/acs.chemmater.3c01635

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

Autores: Andrey A. Kistanov, Stepan A. Shcherbinin, Romain Botella, Artur Davletshin, Wei Cao
Publicado en: The Journal of Physical Chemistry Letters, Edición 13, 2022, Página(s) 2165−2172, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.2c00367

Experimental Ni3TeO6 synthesis condition exploration accelerated by active learning

Autores: R. Botella, J. Fernández-Catalá, W. Cao
Publicado en: Materials letters, Edición 352, 2023, Página(s) 135070, ISSN 0167-577X
Editor: Elsevier BV
DOI: 10.1016/j.matlet.2023.135070

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

Autores: Leran Lu, Romain Botella, Wei Cao
Publicado en: physica status solidi (b) – basic solid state physics, Edición 260, 2023, Página(s) 2300001, ISSN 0370-1972
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/pssb.202300001

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

Autores: Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Publicado en: Advanced Materials, Edición 35, 2023, Página(s) 2304350, ISSN 0935-9648
Editor: 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

Autores: Parisa Talebi, Andrey A. Kistanov, Ekta Rani, Harischandra Singh, Vladimir Pankratov, Viktorija Pankratova, Graham King, Marko Huttula, Wei Cao
Publicado en: Applied energy, Edición 322, 2022, Página(s) 119461, ISSN 0306-2619
Editor: Pergamon Press Ltd.
DOI: 10.1016/j.apenergy.2022.119461

A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations

Autores: Romain Botella, Andrey A. Kistanov
Publicado en: The Journal of Physical Chemistry Letters, Edición 14, 2023, Página(s) 3691–3697, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00665

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

Autores: Javier Fernández-Catalá, Andrey A. Kistanov, Yang Bai, Harishchandra Singh, Wei Cao
Publicado en: npj 2d Materials and Applications, Edición 7, 2023, Página(s) 48, ISSN 2397-7132
Editor: 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

Autores: Joran Celis, Wei Cao
Publicado en: Journal of Chemical Theory and Computation, Edición 20, 2024, Página(s) 2377–2389, ISSN 1549-9618
Editor: American Chemical Society
DOI: 10.1021/acs.jctc.3c00932

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

Autores: A. Kistanov, R. Botella, E. Korznikova, A. Smirnov, S. Zhuk
Publicado en: NDTCS : XIX International Workshop on New Approaches to High-Tech: Nano-Design, Technology, Computer Simulations: Book of Abstracts, 2021, Página(s) 84-85, ISBN 978-985-543-633-2
Editor: Belarusian State University

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