Elucidating the Weakly Reversible Cs-Pb-Br Perovskite Nanocrystal Reaction Network with High-Throughput Maps and Transformations

2020 ◽  
Author(s):  
Jakob Dahl ◽  
Xingzhi Wang ◽  
Xiao Huang ◽  
Emory Chan ◽  
Paul Alivisatos
Keyword(s):  
High Throughput ◽  
Dynamic Equilibrium ◽  
Reaction Network ◽  
Substantial Impact ◽  
Equilibrium Behavior ◽  
Automated Method ◽  
Lead Bromide ◽  
Different Shapes ◽  
Complex Chemistry ◽  
Lead Halide

<p>Advances in automation and data analytics can aid exploration of the complex chemistry of nanoparticles. Lead halide perovskite colloidal nanocrystals provide an interesting proving ground: there are reports of many different phases and transformations, which has made it hard to form a coherent conceptual framework for their controlled formation through traditional methods. In this work, we systematically explore the portion of Cs-Pb-Br synthesis space in which many optically distinguishable species are formed using high-throughput robotic synthesis to understand their formation reactions. We deploy an automated method that allows us to determine the relative amount of absorbance that can be attributed to each species in order to create maps of the synthetic space. These in turn facilitate improved understanding of the interplay between kinetic and thermodynamic factors that underlie which combination of species are likely to be prevalent under a given set of conditions. Based on these maps, we test potential transformation routes between perovskite nanocrystals of different shapes and phases. We find that shape is determined kinetically, but many reactions between different phases show equilibrium behavior. We demonstrate a dynamic equilibrium between complexes, monolayers and nanocrystals of lead bromide, with substantial impact on the reaction outcomes. This allows us to construct a chemical reaction network that qualitatively explains our results as well as previous reports and can serve as a guide for those seeking to prepare a particular composition and shape. </p>

scholarly journals Elucidating the Weakly Reversible Cs-Pb-Br Perovskite Nanocrystal Reaction Network with High-Throughput Maps and Transformations

2020 ◽  
Author(s):  
Jakob Dahl ◽  
Xingzhi Wang ◽  
Xiao Huang ◽  
Emory Chan ◽  
Paul Alivisatos
Keyword(s):  
High Throughput ◽  
Dynamic Equilibrium ◽  
Reaction Network ◽  
Substantial Impact ◽  
Equilibrium Behavior ◽  
Automated Method ◽  
Lead Bromide ◽  
Different Shapes ◽  
Complex Chemistry ◽  
Lead Halide

<p>Advances in automation and data analytics can aid exploration of the complex chemistry of nanoparticles. Lead halide perovskite colloidal nanocrystals provide an interesting proving ground: there are reports of many different phases and transformations, which has made it hard to form a coherent conceptual framework for their controlled formation through traditional methods. In this work, we systematically explore the portion of Cs-Pb-Br synthesis space in which many optically distinguishable species are formed using high-throughput robotic synthesis to understand their formation reactions. We deploy an automated method that allows us to determine the relative amount of absorbance that can be attributed to each species in order to create maps of the synthetic space. These in turn facilitate improved understanding of the interplay between kinetic and thermodynamic factors that underlie which combination of species are likely to be prevalent under a given set of conditions. Based on these maps, we test potential transformation routes between perovskite nanocrystals of different shapes and phases. We find that shape is determined kinetically, but many reactions between different phases show equilibrium behavior. We demonstrate a dynamic equilibrium between complexes, monolayers and nanocrystals of lead bromide, with substantial impact on the reaction outcomes. This allows us to construct a chemical reaction network that qualitatively explains our results as well as previous reports and can serve as a guide for those seeking to prepare a particular composition and shape. </p>

Elucidating the Weakly Reversible Cs-Pb-Br Perovskite Nanocrystal Reaction Network with High-Throughput Maps and Transformations

2020 ◽  
Author(s):  
Jakob Dahl ◽  
Xingzhi Wang ◽  
Xiao Huang ◽  
Emory Chan ◽  
Paul Alivisatos
Keyword(s):  
High Throughput ◽  
Dynamic Equilibrium ◽  
Reaction Network ◽  
Substantial Impact ◽  
Equilibrium Behavior ◽  
Automated Method ◽  
Lead Bromide ◽  
Different Shapes ◽  
Complex Chemistry ◽  
Lead Halide

<p>Advances in automation and data analytics can aid exploration of the complex chemistry of nanoparticles. Lead halide perovskite colloidal nanocrystals provide an interesting proving ground: there are reports of many different phases and transformations, which has made it hard to form a coherent conceptual framework for their controlled formation through traditional methods. In this work, we systematically explore the portion of Cs-Pb-Br synthesis space in which many optically distinguishable species are formed using high-throughput robotic synthesis to understand their formation reactions. We deploy an automated method that allows us to determine the relative amount of absorbance that can be attributed to each species in order to create maps of the synthetic space. These in turn facilitate improved understanding of the interplay between kinetic and thermodynamic factors that underlie which combination of species are likely to be prevalent under a given set of conditions. Based on these maps, we test potential transformation routes between perovskite nanocrystals of different shapes and phases. We find that shape is determined kinetically, but many reactions between different phases show equilibrium behavior. We demonstrate a dynamic equilibrium between complexes, monolayers and nanocrystals of lead bromide, with substantial impact on the reaction outcomes. This allows us to construct a chemical reaction network that qualitatively explains our results as well as previous reports and can serve as a guide for those seeking to prepare a particular composition and shape. </p>

Bromopropane as a Novel Bromine Precursor for the Completely Amine Free Colloidal Synthesis of Ultra-Stable and Highly Luminescent Green-Emitting Cesium Lead Bromide (CsPbBr3) Perovskite Nanocrystals

Nanoscale ◽  
2021 ◽  
Author(s):  
Syed Akhil ◽  
V.G.Vasavi Dutt ◽  
Nimai Mishra
Keyword(s):  
Optoelectronic Devices ◽  
Colloidal Synthesis ◽  
Ambient Conditions ◽  
Active Materials ◽  
Perovskite Nanocrystals ◽  
Lead Bromide ◽  
Halide Perovskite ◽  
Lead Halide ◽  
Poor Stability

Recently lead halide perovskite nanocrystals (PNCs) have attracted intense interest as promising active materials for optoelectronic devices. However, their extensive applications are still hampered by poor stability in ambient conditions....

L1 Regularization-Based Model Reduction of Complex Chemistry Molecular Dynamics for Statistical Learning of Kinetic Monte Carlo Models

MRS Advances ◽  
2016 ◽  
Vol 1 (24) ◽  
pp. 1767-1772 ◽  
Author(s):  
Qian Yang ◽  
Carlos A. Sing-Long ◽  
Evan J. Reed
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
A Priori ◽  
Reaction Network ◽  
Md Simulations ◽  
Rate Coefficients ◽  
Elementary Reactions ◽  
L1 Regularization ◽  
Complex Chemistry

ABSTRACTKinetic Monte Carlo (KMC) methods have been a successful technique for accelerating time scales and increasing system sizes beyond those achievable with fully atomistic simulations. However, a requirement for its success is a priori knowledge of all relevant reaction pathways and their rate coefficients. This can be difficult for systems with complex chemistry, such as shock-compressed materials at high temperatures and pressures or phenolic spacecraft heat shields undergoing pyrolysis, which can consist of hundreds of molecular species and thousands of distinct reactions. In this work, we develop a method for first estimating a KMC model composed of elementary reactions and rate coefficients by using large datasets derived from a few molecular dynamics (MD) simulations of shock compressed liquid methane, and then using L1 regularization to reduce the estimated chemical reaction network. We find that the full network of 2613 reactions can be reduced by 89% while incurring approximately 9% error in the dominant species (CH4) population. We find that the degree of sparsity achievable decreases when similar accuracy is required for additional populations of species.

scholarly journals An Automated and High-Throughput Immunoaffinity Magnetic Bead-Based Sample Clean-Up Platform for the Determination of Aflatoxins in Grains and Oils Using UPLC-FLD

Toxins ◽  
2019 ◽  
Vol 11 (10) ◽  
pp. 583 ◽  
Author(s):  
Zhihong Xuan ◽  
Jin Ye ◽  
Bing Zhang ◽  
Li Li ◽  
Yu Wu ◽  
...  
Keyword(s):  
High Throughput ◽  
High Performance ◽  
Cost Effective ◽  
Magnetic Bead ◽  
The Novel ◽  
Analysis Method ◽  
Automated Method ◽  
Accuracy And Precision ◽  
Optimized Conditions

Sample clean-up remains the most time-consuming and error-prone step in the whole analytical procedure for aflatoxins (AFTs) analysis. Herein, an automated and high-throughput sample clean-up platform was developed with a disposable, cost-effective immunoaffinity magnetic bead-based kit. Under optimized conditions, the automated method takes less than 30 min to simultaneously purify 20 samples without requiring any centrifugation or filtering steps. When coupled to ultra-high performance liquid chromatography with fluorescence detection, this new analysis method displays excellent accuracy and precision as well as outstanding efficiency. Furthermore, an interlaboratory study was performed in six laboratories to validate the novel protocol. Mean recovery, repeatability, reproducibility, and Horwitz ratio values were within 91.9%–107.4%, 2.5%–7.4%, 2.7%–10.6%, and 0.26%–0.90, respectively. Results demonstrate that the developed sample clean-up platform is a reliable alternative to most widely adopted clean-up procedures for AFTs in cereals and oils.

scholarly journals Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools

2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
Ze-ying Wu ◽  
Zhong-da Zeng ◽  
Zi-dan Xiao ◽  
Daniel Kam-Wah Mok ◽  
Yi-zeng Liang ◽  
...  
Keyword(s):  
Data Processing ◽  
High Throughput ◽  
Biomarker Discovery ◽  
Linear Interpolation ◽  
Time Shift ◽  
Data Partition ◽  
High Throughput Data ◽  
Automated Method ◽  
Metabolite Profiles ◽  
Standard Profile

The rapid increase in the use of metabolite profiling/fingerprinting techniques to resolve complicated issues in metabolomics has stimulated demand for data processing techniques, such as alignment, to extract detailed information. In this study, a new and automated method was developed to correct the retention time shift of high-dimensional and high-throughput data sets. Information from the target chromatographic profiles was used to determine the standard profile as a reference for alignment. A novel, piecewise data partition strategy was applied for the determination of the target components in the standard profile as markers for alignment. An automated target search (ATS) method was proposed to find the exact retention times of the selected targets in other profiles for alignment. The linear interpolation technique (LIT) was employed to align the profiles prior to pattern recognition, comprehensive comparison analysis, and other data processing steps. In total, 94 metabolite profiles of ginseng were studied, including the most volatile secondary metabolites. The method used in this article could be an essential step in the extraction of information from high-throughput data acquired in the study of systems biology, metabolomics, and biomarker discovery.

scholarly journals A scalable method for automatically measuring pharyngeal pumping in C. elegans

2016 ◽  
Author(s):  
Monika Scholz ◽  
Dylan J. Lynch ◽  
Kyung Suk Lee ◽  
Erel Levine ◽  
David Biron
Keyword(s):  
Caenorhabditis Elegans ◽  
Food Availability ◽  
High Throughput ◽  
Visual Inspection ◽  
Automated Analysis ◽  
C Elegans ◽  
Automated Method ◽  
Controlled Environments ◽  
Pharyngeal Pumping ◽  
Feeding Environments

We describe a scalable automated method for measuring the pharyngeal pumping of Caenorhabditis elegans in controlled environments. Our approach enables unbiased measurements for prolonged periods, a high throughput, and measurements in controlled yet dynamically changing feeding environments. The automated analysis compares well with scoring pumping by visual inspection, a common practice in the field. In addition, we observed overall low rates of pharyngeal pumping and long correlation times when food availability was oscillated.

scholarly journals Room temperature long-range coherent exciton polariton condensate flow in lead halide perovskites

2018 ◽  
Vol 4 (10) ◽  
pp. eaau0244 ◽  
Author(s):  
Rui Su ◽  
Jun Wang ◽  
Jiaxin Zhao ◽  
Jun Xing ◽  
Weijie Zhao ◽  
...  
Keyword(s):  
Long Range ◽  
High Speed ◽  
Room Temperature ◽  
Optoelectronic Devices ◽  
Lead Bromide ◽  
All Optical ◽  
Halide Perovskites ◽  
Integrated Logic ◽  
Lead Halide ◽  
Speed Propagation

Novel technological applications significantly favor alternatives to electrons toward constructing low power–consuming, high-speed all-optical integrated optoelectronic devices. Polariton condensates, exhibiting high-speed coherent propagation and spin-based behavior, attract considerable interest for implementing the basic elements of integrated optoelectronic devices: switching, transport, and logic. However, the implementation of this coherent polariton condensate flow is typically limited to cryogenic temperatures, constrained by small exciton binding energy in most semiconductor microcavities. Here, we demonstrate the capability of long-range nonresonantly excited polariton condensate flow at room temperature in a one-dimensional all-inorganic cesium lead bromide (CsPbBr3) perovskite microwire microcavity. The polariton condensate exhibits high-speed propagation over macroscopic distances of 60 μm while still preserving the long-range off-diagonal order. Our findings pave the way for using coherent polariton condensate flow for all-optical integrated logic circuits and polaritonic devices operating at room temperature.

scholarly journals Linear assembly of lead bromide-based nanoparticles inside lead(ii) polymers prepared by mixing the precursors of both the nanoparticle and the polymer

2019 ◽  
Vol 55 (20) ◽  
pp. 2968-2971 ◽  
Author(s):  
Soranyel Gonzalez-Carrero ◽  
Lorena Bareño ◽  
Elke Debroye ◽  
Cristina Martin ◽  
Patricia Bondia ◽  
...  
Keyword(s):  
Linear Assembly ◽  
Lead Bromide ◽  
Lead Halide

Preparation of 1D assemblies of lead halide-based nanoparticles inside a lead bromide polymer by concurrent formation of lead(ii) oligomers and the nanoparticles in the presence of cyclohexanemethylammonium bromide.

Characterization of Tumor-immune Microenvironment by High-throughput Image Analysis of CD8 Immunohistochemistry Combined With Modified Masson’s Trichrome

2021 ◽  
pp. 002215542110349
Author(s):  
Charles Havnar ◽  
Shari Lau ◽  
Jeffrey Hung ◽  
Jeff Eastham-Anderson ◽  
Carmina Espiritu ◽  
...  
Keyword(s):  
T Cells ◽  
High Throughput ◽  
Checkpoint Inhibitors ◽  
Cytotoxic T Cells ◽  
Mouse Tissue ◽  
Flexible Tool ◽  
Tissue Samples ◽  
Automated Method ◽  
Tumor Immune Microenvironment ◽  
Tumor Microenviroment

With the advent of checkpoint inhibitors, there is increasing need to study the dynamics of CD8+ T-cells in the tumor microenviroment. In this article, we describe a semi-automated method to quantify and interrogate spatial relationships between T-cells and collagenous stroma in human and mouse tissue samples. The assay combines CD8 immunohistochemistry with modified Masson’s trichrome. Slides are scanned and digital images are analyzed using an adjustable MATLAB algorithm, allowing for high-throughput quantification of cytotoxic T-cells and collagen. This method provides a flexible tool for unbiased quantification of T-cells and their interactions with tumor cells and tumor microenvironment in tissue samples.

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