Emerging two-dimensional materials: Synthesis, physical properties, and application for catalysis in energy conversion and storage

The Innovation Materials, Год журнала: 2024, Номер 2(1), С. 100060 - 100060

Опубликована: Янв. 1, 2024

<p>Inorganic, organic, and hybrid two-dimensional (2D) materials are being developed for ever-expanding numbers of applications, though energy catalysis remain the main drivers their development. We present overviews bottom-up top-down synthetic strategies such examine manufacturing scalability issues. Mechanical, electrical, thermal properties modulation highlighted because they fundamental to above-mentioned drivers. The burgeoning importance heterostructures in materials, particularly electrode design function is stressed. Detailed attention given applications 2D electrocatalysis reactions: oxygen reduction, evolution, hydrogen carbon dioxide nitrogen reduction. Water splitting, reduction by photocatalysis also examined. A perspective expected advances expansion types with a focus on heterostructure development, presented conclusion.</p>

Язык: Английский

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Graphdiyne/hierarchical flower-like Sr2Co2O5 S-scheme heterojunction for enhanced photocatalytic hydrogen evolution

Journal of Material Science and Technology, Год журнала: 2024, Номер 213, С. 241 - 251

Опубликована: Июль 5, 2024

Язык: Английский

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Facing the “Cutting Edge:” Edge Site Engineering on 2D Materials for Electrocatalysis and Photocatalysis

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 31, 2025

The utilization of 2D materials as catalysts has garnered significant attention in recent years, primarily due to their exceptional features including high surface area, abundant exposed active sites, and tunable physicochemical properties. unique geometry imparts them with versatile sites for catalysis, basal plane, interlayer, defect, edge sites. Among these, hold particular significance they not only enable the activation inert but also serve platforms engineering achieve enhanced catalytic performance. Here it is comprehensively aimed summarize state-of-the-art advancements on electrocatalysis photocatalysis, applications ranging from water splitting, oxygen reduction, nitrogen reduction CO2 reduction. Additionally, various approaches harnessing modifying are summarized discussed. guidelines rational heterogeneous catalysis provided.

Язык: Английский

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Design and evaluation of Y2Te2I2 monolayer: A promising 2D photocatalytic water splitter

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 106, С. 1066 - 1075

Опубликована: Фев. 8, 2025

Язык: Английский

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Highly Efficient Rutile TiO₂ Endowed by Electron-Capturing Center and Plasma Effect for Enhanced Solar Water Splitting

ACS Catalysis, Год журнала: 2025, Номер unknown, С. 1242 - 1248

Опубликована: Янв. 7, 2025

Although a deep electron trap of rutile TiO2 has been proven recently, studies on how to reduce its influences have not reported. To inhibit the and long-living hole TiO2, remarkable nanorod photocatalyst, TiO2(R)-NiCu, with an electron-capturing center plasma center, is developed. Using photocatalytic hydrogen evolution rate can reach 24.4 mmol·g–1·h–1, which 61 times that reference catalyst. The experimental theoretical simulation shows Ni, as transfer electrons in trap, while Cu, supply hot conduction band stimulate them recombine holes. synergistic effect Ni Cu inhibits enhances charge efficiency, resulting significantly improved activity.

Язык: Английский

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Two-dimensional TiNBr as photocatalyst for overall water splitting

Physical Review Materials, Год журнала: 2025, Номер 9(2)

Опубликована: Фев. 25, 2025

Язык: Английский

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Transformative strategies in photocatalyst design: merging computational methods and deep learning

Journal of Materials Informatics, Год журнала: 2024, Номер 4(4)

Опубликована: Дек. 31, 2024

Photocatalysis is a unique technology that harnesses solar energy through in-situ processes, operating without the need for external inputs. It integral to advancing environmental, energy, chemical, and carbon-neutral objectives, promoting dual goals of pollution control carbon reduction. However, conventional approach photocatalyst design faces challenges such as inefficiency, high costs, low success rates, highlighting integrating modern technologies seeking new paradigms. Here, we demonstrate comprehensive overview transformative strategies in design, combining computational materials science with deep learning technologies. The review covers fundamental principles followed by examination methods workflow deep-learning-assisted design. Deep approaches are extensively reviewed, focusing on discovery novel photocatalysts, microstructure property optimization, approaches, application exploration, mechanistic insights into photocatalysis. Finally, highlight synergy between multidimensional computation learning, while discussing future directions development. This offers summary offering not only enhance development photocatalytic but also expand practical applications photocatalysis various domains.

Язык: Английский

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ML-Aided Computational Screening of 2D Materials for Photocatalytic Water Splitting

The Journal of Physical Chemistry Letters, Год журнала: 2024, Номер 15(18), С. 4983 - 4991

Опубликована: Май 1, 2024

The exploration of two-dimensional (2D) materials with exceptional physical and chemical properties is essential for the advancement solar water splitting technologies. However, discovery 2D currently heavily reliant on fragmented studies limited opportunities fine-tuning composition electronic features compounds. Starting from V2DB digital library as a resource materials, we set up execute funnel approach that incorporates multiple screening steps to uncover potential candidates photocatalytic splitting. initial step based upon machine learning (ML) predicted properties, subsequent involve first-principles modeling increasing complexity, going density functional theory (DFT) hybrid-DFT GW calculations. Ensuring at each stage more complex calculations are only applied most promising candidates, our study introduces an effective methodology may serve model accelerating within large space. Our process yields selection 11 photocatalysts.

Язык: Английский

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Designed of dual direct band gap graphdiyne/Co2VO4 S-scheme heterojunction: Enhance the bonding stability of Co active sites to promote photocatalytic hydrogen evolution

Chemical Engineering Journal, Год журнала: 2024, Номер unknown, С. 157514 - 157514

Опубликована: Ноя. 1, 2024

Язык: Английский

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Screening of Novel Halide Perovskites for Photocatalytic Water Splitting using Multi-Fidelity Machine Learning

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер 26(35), С. 23177 - 23188

Опубликована: Янв. 1, 2024

Photocatalytic water splitting is an efficient and sustainable technology to produce high-purity hydrogen gas for clean energy using solar energy. Despite the tremendous success of halide perovskites as absorbers in cells, their utility applications has not been systematically explored. A band gap greater than 1.23 eV, high absorption coefficients, separation charge carriers, adequate overpotentials redox reaction are crucial a (STH) efficiency. In this work, we present data-driven approach identify novel lead-free with STH efficiency (

Язык: Английский

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