Batch-Screening Guided Continuous Flow Synthesis of the Metal-organic Framework HKUST-1 in a Millifuidic Droplet Reactor DOI Creative Commons
Rajasi Shukre,

Thomas Ericson,

Daniel K. Unruh

et al.

Published: March 31, 2022

Metal-organic frameworks (MOFs) are a class of crystalline and porous adsorbents, with wide-ranging applications in gas separations, membrane materials as well sensors. Commonly used batch synthesis techniques for MOF production limited by low productivity, high operating costs, slow crystallization timescales, severely impeding the large-scale manufacturing these materials. However, is useful easy technique to screen multiple reaction parameters find an optimal chemistry. Therefore, this study, we have process screened multidimensional space consisting 45 sample variations based on crystallinity, yield instantaneous precipitation, which could lead tube clogging under flow conditions. We found one optimized chemistry, that be conditions, study novel millifluidic droplet-based reactor continuous HKUST-1 crystals. The biphasic consisted droplets reactant solution, dispersed phase silicone oil. investigate differences quality quantity synthesized via techniques. Moreover, demonstrated samples prepared droplet reactor, at ultra-low residence time exhibit excellent physical properties comparable obtained traditional process. A clean, easy-to-install, reusable presented work may pave path economically viable, HKUST-1.

Language: Английский

The rise of self-driving labs in chemical and materials sciences DOI Open Access
Milad Abolhasani, Eugenia Kumacheva

Nature Synthesis, Journal Year: 2023, Volume and Issue: 2(6), P. 483 - 492

Published: Jan. 30, 2023

Language: Английский

Citations

265
Autonomous reaction Pareto-front mapping with a self-driving catalysis laboratory DOI Creative Commons
Jeffrey A. Bennett, Negin Orouji, Muhammad Babar Khan

et al.

Nature Chemical Engineering, Journal Year: 2024, Volume and Issue: 1(3), P. 240 - 250

Published: Feb. 27, 2024

Ligands play a crucial role in enabling challenging chemical transformations with transition metal-mediated homogeneous catalysts. Despite their undisputed catalysis, discovery and development of ligands have proven to be resource-intensive undertaking. Here, response, we present self-driving catalysis laboratory, Fast-Cat, for autonomous resource-efficient parameter space navigation Pareto-front mapping high-temperature, high-pressure, gas–liquid reactions. Fast-Cat enables ligand benchmarking multi-objective catalyst performance evaluation minimal human intervention. Specifically, utilize perform rapid identification the hydroformylation reaction between syngas (CO H2) olefin (1-octene) presence rhodium various classes phosphorus-based ligands. By reactor benchmarking, demonstrate Fast-Cat's knowledge scalability, essential fine/specialty industries. We report details modular flow chemistry platform its experiment-selection strategy generation optimized experimental conditions in-house data required supplying machine-learning approaches investigations. A is presented efficient high-throughput screening using rhodium-catalyzed as case study. used Pareto map investigate varying several

Language: Английский

Citations

17
What is missing in autonomous discovery: open challenges for the community DOI Creative Commons
Phillip M. Maffettone, Pascal Friederich, Sterling G. Baird

et al.

Digital Discovery, Journal Year: 2023, Volume and Issue: 2(6), P. 1644 - 1659

Published: Jan. 1, 2023

Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery.

Language: Английский

Citations

27
Smart Dope: A Self‐Driving Fluidic Lab for Accelerated Development of Doped Perovskite Quantum Dots DOI Creative Commons
Fazel Bateni, Sina Sadeghi, Negin Orouji

et al.

Advanced Energy Materials, Journal Year: 2023, Volume and Issue: 14(1)

Published: Nov. 12, 2023

Abstract Metal cation‐doped lead halide perovskite (LHP) quantum dots (QDs) with photoluminescence yields (PLQYs) higher than unity, due to cutting phenomena, are an important building block of the next‐generation renewable energy technologies. However, synthetic route exploration and development highest‐performing QDs for device applications remain challenging. In this work, Smart Dope is presented, which a self‐driving fluidic lab (SDFL), accelerated synthesis space autonomous optimization LHP QDs. Specifically, multi‐cation doping CsPbCl 3 using one‐pot high‐temperature chemistry reported. continuously synthesizes multi‐cation‐doped high‐pressure gas‐liquid segmented flow format enable continuous experimentation minimal experimental noise at reaction temperatures up 255°C. offers multiple functionalities, including mechanistic studies through digital twin QD modeling, closed‐loop discovery, on‐demand manufacturing high‐performing Through these developments, autonomously identifies optimal Mn‐Yb co‐doped PLQY 158%, highest reported value class date. illustrates power SDFLs in accelerating discovery emerging advanced materials.

Language: Английский

Citations

18
Engineering a Sustainable Future: Harnessing Automation, Robotics, and Artificial Intelligence with Self-Driving Laboratories DOI
Sina Sadeghi, Richard B. Canty,

Nikolai Mukhin

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 12(34), P. 12695 - 12707

Published: Aug. 6, 2024

The accelerating depletion of natural resources undoubtedly demands a radical reevaluation research practices addressing the escalating climate crisis. From traditional approaches to modern-day advancements, integration automation and artificial intelligence (AI)-guided decision-making has emerged as transformative route in shaping new methodologies. Harnessing robotics high-throughput alongside intelligent experimental design, self-driving laboratories (SDLs) offer an innovative solution expedite chemical/materials timelines while significantly reducing carbon footprint scientific endeavors, which could be utilized not only generate green materials but also make process itself more sustainable. In this Perspective, we examine potential SDLs driving sustainability forward through case studies discovery optimization, thereby paving way for greener efficient future. While hold immense promise, discuss challenges that persist their development deployment, necessitating holistic approach both design implementation.

Language: Английский

Citations

5
Autonomous nanomanufacturing of lead-free metal halide perovskite nanocrystals using a self-driving fluidic lab DOI
Sina Sadeghi, Fazel Bateni,

Taekhoon Kim

et al.

Nanoscale, Journal Year: 2023, Volume and Issue: 16(2), P. 580 - 591

Published: Dec. 13, 2023

We present a self-driving fluidic lab for accelerated synthesis science studies of lead-free metal halide perovskite nanocrystals.

Language: Английский

Citations

10
Bimetallic Nickel–Palladium Nanoparticles Supported on Multiwalled Carbon Nanotubes for Suzuki Cross-Coupling Reactions in Continuous Flow DOI Creative Commons

Katherine A. Wilson,

Harlee B. Winkleman,

Ali R. Siamaki

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2025, Volume and Issue: 64(3), P. 1427 - 1438

Published: Jan. 7, 2025

An efficient Suzuki cross-coupling reaction under continuous flow conditions was developed utilizing an immobilized solid supported catalyst consisting of bimetallic nickel–palladium nanoparticles (Ni–Pd/MWCNTs). In this process, the reactants can be continuously pumped into a bed at high rate 0.6 mL/min and temperature 130 °C while products are recovered in steady-state yields for prolonged processing. The prepared by mechanical shaking appropriate nickel palladium salts using ball-mill energy without requirement any solvent or reducing agent. This straightforward, facile, simple method allows bulk production Ni–Pd/MWCNTs with small particle size ideal application catalysis. as-prepared mostly contains (7.9%) very amount (0.81%) according to ICP-OES analysis. remarkable used several times different reactions minimum loss reactivity no detectable leaching metal nanoparticles. Notably, modifying groups on both aryl halides phenylboronic acids, provides access diverse array yield, making it suitable applications industrial pharmaceutical scales. Moreover, spectroscopic techniques were employed identify structure composition before after such as transmission electron microscopy (TEM), X-ray diffraction (XRD), photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), BET surface area (physisorption), FTIR spectroscopy.

Language: Английский

Citations

0
Photo‐Induced Bandgap Engineering of Metal Halide Perovskite Quantum Dots In Flow DOI Creative Commons

P. B. Jha,

Nikolai Mukhin,

Arup Ghorai

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 11, 2025

Abstract Over the past decade, lead halide perovskite (LHP) nanocrystals (NCs) have attracted significant attention due to their tunable optoelectronic properties for next‐generation printed photonic and electronic devices. High‐energy photons in presence of haloalkanes provide a scalable sustainable pathway precise bandgap engineering LHP NCs via photo‐induced anion exchange reaction (PIAER) facilitated by situ generated anions. However, mechanisms driving remain not fully understood. This study elucidates underlying PIAER through an advanced microfluidic platform. Additionally, first instance PIAER, transforming CsPbBr 3 into high‐performing CsPbI NCs, with assistance thiol‐based additive is reported. Utilizing intensified photo‐flow microreactor accelerates rate 3.5‐fold, reducing material consumption 100‐fold compared conventional batch processes. It demonstrated that act as photocatalysts, oxidative bond cleavage dichloromethane promoting photodissociation 1‐iodopropane using high‐energy photons. Furthermore, it plays dual role: surface passivation, which enhances photoluminescence quantum yield, facilitates PIAER. These findings pave way tailored design perovskite‐based materials.

Language: Английский

Citations

0
A Self-Driving Fluidic Lab for Data-Driven Synthesis of Lead-Free Perovskite Nanocrystals DOI Creative Commons
Sina Sadeghi, Karin Mattsson,

Joshua Glasheen

et al.

Digital Discovery, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

We present a self-driving fluidic lab with modular hardware and software for data-driven synthesis optimization of eco-friendly colloidal semiconductor nanocrystals.

Language: Английский

Citations

0
SpectIR-fluidics: completely customizable microfluidic cartridges for high sensitivity on-chip infrared spectroscopy with point-of-application studies on bacterial biofilms DOI
Nan Jia,

Arthur Daignault-Bouchard,

Tianyang Deng

et al.

Lab on a Chip, Journal Year: 2023, Volume and Issue: 23(16), P. 3561 - 3570

Published: Jan. 1, 2023

SpectIR-fluidics merges any microfluidic design with sensitive ATR-FTIR. The sensor integration within the larger device enables complete freedom for fluidic connections, opening way high throughput point of application assays and more.

Language: Английский

Citations

9