Understanding the ligand-assisted reprecipitation of CsPbBr3 nanocrystals via high-throughput robotic synthesis approach

Sanchez, Sheryl L.; Tang, Yipeng; Hu, Bin; Yang, Ji-Won; Ahmadi, Mehdi

doi:10.1016/j.matt.2023.05.023

Cited by 19 publications

(20 citation statements)

References 68 publications

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“…Within the ML frameworks, feature engineering plays a critical role in dissecting photocatalytic properties. Techniques like SHAP provide sophisticated interpretations of the significance of various features, including light intensity, catalyst loading, irradiation time, and reaction concentration. ,, These insights are instrumental in refining photocatalyst design and operational parameters, leading to enhanced efficiency and efficacy.…”

Section: Integration Of Machine Learning (Ml) In a High-throughput Au...mentioning

confidence: 99%

“…Within the domain of HT automated synthesis methods, various approaches are considered based on factors such as material type, desired properties, and available resources. For HP materials, a few automated experiment platforms already exist, including fully automated robotic laboratories employing Bayesian optimization (BO) workflows, − microfluidic systems based on modular platforms guided by ensemble neural network (ENN) exploration, and micropipetting robotic methods leveraging our expertise as well. − These strategies efficiently drive materials explorations, effectively discovering the optimal point for the best functionalities or disentangling the fundamental phenomena associated with the optoelectronic applications in an accelerated way.…”

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

“…Combinatorial mixing and spotting involve presynthesized components mixed in various ratios and spotted onto a support to generate a diverse library . Solution-phase combinatorial synthesis involves a well-plate-based pipetting method that controls the dilution process and also the endmember concentrations. The room temperature-based solution-processing method offers scalability, making it an excellent choice for industrial-level production of Pb-free NCs.…”

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

“…Our group specializes in synthesizing various HP materials, including 3D, 2D, and quasi-2D materials and their nanocrystals, using HT pipetting robots for solar cell and light-emitting diode (LED) applications. ,− The recent study by our group has significantly contributed to the advancement and precision in the synthesis, specifically focusing on examining the effects of antisolvents in synthesizing double HPs . These pipetting robot-based techniques stand out for their precision, speed, and efficiency, providing consistent results while minimizing errors and contamination compared to conventional nonrobotic methods.…”

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

See 3 more Smart Citations

Lead-Free Halide Perovskites for Photocatalysis via High-Throughput Exploration

Dubey,

Sanchez,

Yang

et al. 2024

Chem. Mater.

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This Perspective navigates the transformative synergy between machine learning (ML) techniques and highthroughput (HT) methodologies in the realm of photocatalysis, aiming to overcome the inefficiencies and drawbacks associated with existing photocatalysts. Pb-free hybrid perovskite (HP) nanocrystals (NCs) emerge as promising candidates, offering distinctive physicochemical and optical attributes in addition to nontoxicity. The integration of HT automated methods accelerates the synthesis and characterization of novel Pb-free HP materials while also addressing challenges in obtaining large, high-quality data sets for training ML models. The proposed multidisciplinary approach, combining experimental and computational simulations, aims to unravel the complexities of photocatalytic systems, fostering the development of innovative strategies for materials development. The convergence of experimental techniques, computational simulations, and ML is poised to revolutionize photocatalysis (PC), propelling the field into an era of unprecedented discovery and innovation.

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Section: Integration Of Machine Learning (Ml) In a High-throughput Au...mentioning

confidence: 99%

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

Section: High-throughput Automated Synthesis and Characterization For...mentioning

confidence: 99%

See 2 more Smart Citations

Lead-Free Halide Perovskites for Photocatalysis via High-Throughput Exploration

Dubey,

Sanchez,

Yang

et al. 2024

Chem. Mater.

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“…Lead halide perovskite nanocrystal (PNC) light emitting diode (LED) technology has improved rapidly in recent years for next‐generation RGB full‐color display technology owning to their outstanding optoelectrical properties including tunable emission wavelength with varying halide components or size, high color purity with narrow emission spectra and high photoluminescence quantum yields (PLQYs). [ 1–8 ] Although bulk perovskites are expected to be defect‐tolerant, as‐synthesized PNCs are capped with long organic chain ligands such as oleate (OA − ) and oleylammonium (OAm + ) for monodisperse and uniformly shaped PNC synthesis; the weak binding ability of native OA − /OAm + causes dynamic binding of these ligands, causing poor colloidal stability and high surface defect densities in terms of halide vacancies and undercoordinated lead atoms. [ 9 ‐ 15 ]…”

Section: Introductionmentioning

confidence: 99%

Synergistic Surface Modification for High‐Efficiency Perovskite Nanocrystal Light‐Emitting Diodes: Divalent Metal Ion Doping and Halide‐Based Ligand Passivation

Jeong,

Lee,

Song

et al. 2023

Advanced Science

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Surface defects of metal halide perovskite nanocrystals (PNCs) substantially compromise the optoelectronic performances of the materials and devices via undesired charge recombination. However, those defects, mainly the vacancies, are structurally entangled with each other in the PNC lattice, necessitating a delicately designed strategy for effective passivation. Here, a synergistic metal ion doping and surface ligand exchange strategy is proposed to passivate the surface defects of CsPbBr3 PNCs with various divalent metal (e.g., Cd2+, Zn2+, and Hg2+) acetate salts and didodecyldimethylammonium (DDA+) via one‐step post‐treatment. The addition of metal acetate salts to PNCs is demonstrated to suppress the defect formation energy effectively via the ab initio calculations. The developed PNCs not only have near‐unity photoluminescence quantum yield and excellent stability but also show luminance of 1175 cd m−2, current efficiency of 65.48 cd A−1, external quantum efficiency of 20.79%, wavelength of 514 nm in optimized PNC light‐emitting diodes with Cd2+ passivator and DDA ligand. The “organic–inorganic” hybrid engineering approach is completely general and can be straightforwardly applied to any combination of quaternary ammonium ligands and source of metal, which will be useful in PNC‐based optoelectronic devices such as solar cells, photodetectors, and transistors.

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Accelerating Materials Discovery by High‐Throughput GIWAXS Characterization of Quasi‐2D Formamidinium Metal Halide Perovskites

Yang,

Hidalgo,

Song

et al. 2024

Adv Funct Materials

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The intriguing functionalities of emerging quasi‐2D metal halide perovskites (MHPs) have led to further exploration of this material class for sustainable and scalable optoelectronic applications. However, the chemical complexities in precursors—primarily determined by the 2D:3D compositional ratio—result in uncontrolled phase heterogeneities in these materials, which compromises the optoelectronic performances. Yet, this phenomenon remains poorly understood due to the massive quasi‐2D compositional space. To systematically explore the fundamental principles, herein, a high‐throughput automated synthesis‐characterization workflow is designed and implemented to formamidinium (FA)‐based quasi‐2D MHP system. It is revealed that the stable 3D‐like phases, where the α‐FAPbI3 surface is passivated by 2D spacers, exclusively emerge at the compositional range (35–55% of FAPbI3), deviating from the stoichiometric considerations. A quantitative crystallographic study via high‐throughput grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) experiments integrated with automated peak analysis function quickly reveals that the 3D‐like phases are vertically aligned, facilitating vertical charge conduction that can be beneficial for optoelectronic applications. Together, this study uncovers the optimal 2D:3D compositional range for complex quasi‐2D MHP systems, realizing promising optoelectronic functionalities. The automated experimental workflow significantly accelerates materials discoveries and processing optimizations that are transferrable to other deposition methods, while providing fundamental insights into complex materials systems.

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Understanding the ligand-assisted reprecipitation of CsPbBr3 nanocrystals via high-throughput robotic synthesis approach

Cited by 19 publications

References 68 publications

Lead-Free Halide Perovskites for Photocatalysis via High-Throughput Exploration

Lead-Free Halide Perovskites for Photocatalysis via High-Throughput Exploration

Synergistic Surface Modification for High‐Efficiency Perovskite Nanocrystal Light‐Emitting Diodes: Divalent Metal Ion Doping and Halide‐Based Ligand Passivation

Accelerating Materials Discovery by High‐Throughput GIWAXS Characterization of Quasi‐2D Formamidinium Metal Halide Perovskites

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