Toward Totally Defined Nanocatalysis: Deep Learning Reveals the Extraordinary Activity of Single Pd/C Particles

Journal of the American Chemical Society, Journal Year: 2022, Volume and Issue: 144(13), P. 6071 - 6079

Published: March 23, 2022

Homogeneous catalysis is typically considered "well-defined" from the standpoint of catalyst structure unambiguity. In contrast, heterogeneous nanocatalysis often falls into realm "poorly defined" systems. Supported catalysts are difficult to characterize due their heterogeneity, variety morphologies, and large size at nanoscale. Furthermore, an assortment active metal nanoparticles examined on support negligible compared those in bulk used. To solve these challenges, we studied individual particles supported catalyst. We made a significant step forward fully particles. Combining nanomanipulation technique inside field-emission scanning electron microscope with neural network analysis selected unexpectedly revealed important aspects activity for widespread commercially Pd/C catalysts. The proposed approach unleashed unprecedented turnover number 109 attributed palladium nanoglobular carbon particle. Offered present study Totally Defined Catalysis concept that has tremendous potential mechanistic research development high-performance

Language: Английский

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Well-defined high entropy-metal nanoparticles: Detection of the multi-element particles by deep learning

Journal of Energy Chemistry, Journal Year: 2024, Volume and Issue: 98, P. 262 - 273

Published: June 28, 2024

Language: Английский

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Statistical review of studies on the estimation of thermophysical properties of nanofluids using artificial neural network (ANN)

Powder Technology, Journal Year: 2022, Volume and Issue: 400, P. 117210 - 117210

Published: Feb. 19, 2022

Language: Английский

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Top 20 influential AI-based technologies in chemistry

Artificial Intelligence Chemistry, Journal Year: 2024, Volume and Issue: 2(2), P. 100075 - 100075

Published: July 27, 2024

The beginning and ripening of digital chemistry is analyzed focusing on the role artificial intelligence (AI) in an expected leap chemical sciences to bring this area next evolutionary level. analytic description selects highlights top 20 AI-based technologies 7 broader themes that are reshaping field. It underscores integration tools such as machine learning, big data, twins, Internet Things (IoT), robotic platforms, smart control processes, virtual reality blockchain, among many others, enhancing research methods, educational approaches, industrial practices chemistry. significance study lies its focused overview how these innovations foster a more efficient, sustainable, innovative future sciences. This article not only illustrates transformative impact but also draws new pathways chemistry, offering broad appeal researchers, educators, industry professionals embrace advancements for addressing contemporary challenges

Language: Английский

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Optimized deep networks for the classification of nanoparticles in scanning electron microscopy imaging

Computational Materials Science, Journal Year: 2023, Volume and Issue: 223, P. 112135 - 112135

Published: March 22, 2023

Language: Английский

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Evidence for the “cocktail” nature of platinum-catalyzed alkyne and alkene hydrosilylation reactions

Catalysis Science & Technology, Journal Year: 2022, Volume and Issue: 12(4), P. 1173 - 1186

Published: Jan. 1, 2022

Evidence of the involvement a “cocktail”-type catalytic system in alkyne and alkene hydrosilylation reaction presence platinum on carbon support is reported.

Language: Английский

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Top 20 Influential AI-Based Technologies in Chemistry

Published: April 12, 2024

The beginning and ripening of digital chemistry is analyzed focusing on the role artificial intelligence (AI) in an expected leap chemical sciences to bring this area next evolutionary level. analytic description selects highlights top 20 AI-based technologies 7 broader themes that are reshaping field. It underscores integration tools such as machine learning, big data, twins, Internet Things (IoT), robotic platforms, smart control processes, virtual reality blockchain, among many others, enhancing research methods, educational approaches, industrial practices chemistry. significance study lies its focused overview how these innovations foster a more efficient, sustainable, innovative future sciences. This article not only illustrates transformative impact but also draws new pathways chemistry, offering broad appeal researchers, educators, industry professionals embrace advancements for addressing contemporary challenges

Language: Английский

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Determining the orderliness of carbon materials with nanoparticle imaging and explainable machine learning

Nanoscale, Journal Year: 2024, Volume and Issue: 16(28), P. 13663 - 13676

Published: Jan. 1, 2024

Carbon materials have paramount importance in various fields of science, from electronic devices to industrial catalysts. The properties these are strongly related the distribution defects-irregularities electron density on their surfaces. Different distributions and quantities defects, which can be imaged using a procedure that involves depositing palladium nanoparticles. resulting scanning microscopy (SEM) images characterized by key descriptor-the ordering nanoparticle positions. This work presents highly interpretable machine learning approach for distinguishing between with ordered disordered arrangements defects marked attachment. influence degree was experimentally evaluated example catalysis

Language: Английский

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Digital biology approach for macroscale studies of biofilm growth and biocide effects with electron microscopy

Digital Discovery, Journal Year: 2023, Volume and Issue: 2(5), P. 1522 - 1539

Published: Jan. 1, 2023

Combination of automated scanning electron microscopy and a comprehensive software system that uses deep neural networks to perform an in-depth analysis biofilms.

Language: Английский

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How to Make a Cocktail of Palladium Catalysts with Cola and Alcohol: Heteroatom Doping vs. Nanoscale Morphology of Carbon Supports

Nanomaterials, Journal Year: 2021, Volume and Issue: 11(10), P. 2599 - 2599

Published: Oct. 2, 2021

Sparkling drinks such as cola can be considered an affordable and inexpensive starting material consisting of carbohydrates sulfur- nitrogen-containing organic substances in phosphoric acid, which makes them excellent precursor for the production heteroatom-doped carbon materials. In this study, materials were successfully prepared a quick simple manner using direct carbonization regular diet cola. The low content allowed reaching higher level phosphorus material, well obtaining additional doping with nitrogen sulfur due to presence sweeteners caffeine. Effects support phosphorus, sulfur, changes textural properties by ball milling, on catalytic activity palladium catalysts investigated Suzuki–Miyaura Mizoroki–Heck reactions. Contributions heteroatom specific surface area supports increased supported discussed. Additionally, possibility these reactions proceed 40% potable ethanol was studied. Moreover, transformation various particles (complexes nanoparticles) reaction medium detected mass spectrometry transmission electron microscopy, evidenced formation cocktail commercial ethanol/water solution.

Language: Английский

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