Accelerate Synthesis of Metal–Organic Frameworks by a Robotic Platform and Bayesian Optimization

Xie, Yunchao; Zhang, Chi; Deng, Heng; Zheng, Bujingda; Su, Jheng-Wun; Shutt, Kenyon; Lin, Jian

doi:10.1021/acsami.1c16506

Accelerate Synthesis of Metal–Organic Frameworks by a Robotic Platform and Bayesian Optimization

Journal Article · 28 October 2021 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.1c16506· OSTI ID:1978242

^[1]; Zhang, Chi ^[1]; Deng, Heng ^[1]; Zheng, Bujingda ^[1]; Su, Jheng-Wun ^[2]; Shutt, Kenyon ^[1]; ^[3]

Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, Missouri 65211, United States
Department of Physics and Engineering, Slippery Rock University, Slippery Rock, Pennsylvania 16057, United States
Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, Missouri 65211, United States; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, Missouri 65211, United States

Not provided.

Research Organization:: Univ. of Missouri, Columbia, MO (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

DOE Contract Number:: FE0031645

OSTI ID:: 1978242

Journal Information:: ACS Applied Materials and Interfaces, Vol. 13, Issue 45; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (58)

Hydrogen storage in metal–organic frameworks No authors listed Chemical Society Reviews https://doi.org/10.1039/b802256a		January 2009
Selective gas adsorption and separation in metal–organic frameworks No authors listed Chemical Society Reviews https://doi.org/10.1039/b802426j		January 2009
Metal–Organic Frameworks for Separations No authors listed Chemical Reviews https://doi.org/10.1021/cr200190s		September 2011
Functional metal–organic frameworks as effective sensors of gases and volatile compounds No authors listed Chemical Society Reviews https://doi.org/10.1039/C9CS00778D		January 2020
Metal-Organic Frameworks for Chemiresistive Sensors No authors listed Chem https://doi.org/10.1016/j.chempr.2019.04.013		August 2019
Metal–Organic Frameworks as Catalysts for Organic Synthesis: A Critical Perspective No authors listed Journal of the American Chemical Society https://doi.org/10.1021/jacs.9b00733		April 2019
Rational approach to guest confinement inside MOF cavities for low-temperature catalysis No authors listed Nature Communications https://doi.org/10.1038/s41467-019-08972-x		March 2019
Metal-Organic Framework (MOF)-Based Drug/Cargo Delivery and Cancer Therapy No authors listed Advanced Materials https://doi.org/10.1002/adma.201606134		March 2017
Enhanced Drug Delivery by Dissolution of Amorphous Drug Encapsulated in a Water Unstable Metal–Organic Framework (MOF) No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201907652		November 2019
Introduction to Metal–Organic Frameworks No authors listed Chemical Reviews https://doi.org/10.1021/cr300014x		September 2011
State of the Art and Prospects in Metal–Organic Framework (MOF)-Based and MOF-Derived Nanocatalysis No authors listed Chemical Reviews https://doi.org/10.1021/acs.chemrev.9b00223		June 2019
High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO₂ Capture No authors listed Science https://doi.org/10.1126/science.1152516		February 2008
Isolated Single Iron Atoms Anchored on N-Doped Porous Carbon as an Efficient Electrocatalyst for the Oxygen Reduction Reaction No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201702473		April 2017
High yield 1-L scale synthesis of ZIF-8 via a sonochemical route No authors listed Microporous and Mesoporous Materials https://doi.org/10.1016/j.micromeso.2012.11.012		March 2013
Interfacial microfluidic processing of metal-organic framework hollow fiber membranes No authors listed Science https://doi.org/10.1126/science.1251181		July 2014
Rapid Room-Temperature Synthesis of Zeolitic Imidazolate Frameworks by Using Mechanochemistry No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201005547		November 2010
Morphological and Structural Evolutions of Metal-Organic Framework Particles from Amorphous Spheres to Crystalline Hexagonal Rods No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201504873		July 2015
Improvement in Crystallinity and Porosity of Poorly Crystalline Metal–Organic Frameworks (MOFs) through Their Induced Growth on a Well-Crystalline MOF Template No authors listed Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.8b01055		July 2018
Metal–organic framework MOF-5 prepared by microwave heating: Factors to be considered No authors listed Microporous and Mesoporous Materials https://doi.org/10.1016/j.micromeso.2008.04.033		December 2008
Gas-Sorption Properties of Cobalt(II)-Carborane-Based Coordination Polymers as a Function of Morphology No authors listed Small https://doi.org/10.1002/smll.200900085		August 2009
High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis No authors listed Nature Communications https://doi.org/10.1038/s41467-018-05271-9		July 2018
High-throughput screening of solid-state catalysts for nerve agent degradation No authors listed Chemical Communications https://doi.org/10.1039/C8CC03255F		January 2018
Using an Automated Monitoring Platform for Investigations of Biphasic Reactions No authors listed ACS Catalysis https://doi.org/10.1021/acscatal.9b03953		November 2019
The high-throughput highway to computational materials design No authors listed Nature Materials https://doi.org/10.1038/nmat3568		February 2013
A curious formulation robot enables the discovery of a novel protocell behavior No authors listed Science Advances https://doi.org/10.1126/sciadv.aay4237		January 2020
Capturing chemical intuition in synthesis of metal-organic frameworks No authors listed Nature Communications https://doi.org/10.1038/s41467-019-08483-9		February 2019
Machine-Learning-Accelerated Perovskite Crystallization No authors listed Matter https://doi.org/10.1016/j.matt.2020.02.012		April 2020
A nanomaterials discovery robot for the Darwinian evolution of shape programmable gold nanoparticles No authors listed Nature Communications https://doi.org/10.1038/s41467-020-16501-4		June 2020
Self-driving laboratory for accelerated discovery of thin-film materials No authors listed Science Advances https://doi.org/10.1126/sciadv.aaz8867		May 2020
A Bayesian experimental autonomous researcher for mechanical design No authors listed Science Advances https://doi.org/10.1126/sciadv.aaz1708		April 2020
Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems No authors listed Advanced Materials https://doi.org/10.1002/adma.201907801		April 2020
A general-purpose machine learning framework for predicting properties of inorganic materials No authors listed npj Computational Materials https://doi.org/10.1038/npjcompumats.2016.28		August 2016
Bandgap prediction by deep learning in configurationally hybridized graphene and boron nitride No authors listed npj Computational Materials https://doi.org/10.1038/s41524-019-0165-4		February 2019
Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC No authors listed Journal of the American Chemical Society https://doi.org/10.1021/jacs.7b08460		November 2017
Machine Learning Assisted Synthesis of Metal–Organic Nanocapsules No authors listed Journal of the American Chemical Society https://doi.org/10.1021/jacs.9b11569		December 2019
Controlling an organic synthesis robot with machine learning to search for new reactivity No authors listed Nature https://doi.org/10.1038/s41586-018-0307-8		July 2018
Predicting reaction performance in C–N cross-coupling using machine learning No authors listed Science https://doi.org/10.1126/science.aar5169		February 2018
An Autonomous Chemical Robot Discovers the Rules of Inorganic Coordination Chemistry without Prior Knowledge No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.202000329		May 2020
A robotic platform for flow synthesis of organic compounds informed by AI planning No authors listed Science https://doi.org/10.1126/science.aax1566		August 2019
Artificial Chemist: An Autonomous Quantum Dot Synthesis Bot No authors listed Advanced Materials https://doi.org/10.1002/adma.202001626		June 2020
A mobile robotic chemist No authors listed Nature https://doi.org/10.1038/s41586-020-2442-2		July 2020
Autonomous discovery in the chemical sciences part I: Progress No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201909987		September 2019
Autonomous discovery in the chemical sciences part II: Outlook No authors listed Angewandte Chemie International Edition https://doi.org/10.1002/anie.201909989		September 2019
Accelerating the discovery of materials for clean energy in the era of smart automation No authors listed Nature Reviews Materials https://doi.org/10.1038/s41578-018-0005-z		April 2018
Toward Machine Learning-Enhanced High-Throughput Experimentation No authors listed Trends in Chemistry https://doi.org/10.1016/j.trechm.2020.12.001		February 2021
Materials Acceleration Platforms: On the way to autonomous experimentation No authors listed Current Opinion in Green and Sustainable Chemistry https://doi.org/10.1016/j.cogsc.2020.100370		October 2020
Autonomy in materials research: a case study in carbon nanotube growth No authors listed npj Computational Materials https://doi.org/10.1038/npjcompumats.2016.31		October 2016
Rapid Synthesis of Zeolitic Imidazole Frameworks in Laser‐Induced Graphene Microreactors No authors listed ChemSusChem https://doi.org/10.1002/cssc.201802446		January 2019
A programmable chemical computer with memory and pattern recognition No authors listed Nature Communications https://doi.org/10.1038/s41467-020-15190-3		March 2020
Laser-induced porous graphene films from commercial polymers No authors listed Nature Communications https://doi.org/10.1038/ncomms6714		December 2014
Machine-learning-assisted fabrication: Bayesian optimization of laser-induced graphene patterning using in-situ Raman analysis No authors listed Carbon https://doi.org/10.1016/j.carbon.2020.05.087		October 2020
Designing Algorithms To Aid Discovery by Chemical Robots No authors listed ACS Central Science https://doi.org/10.1021/acscentsci.8b00176		July 2018
Discovery and Optimization of Materials Using Evolutionary Approaches No authors listed Chemical Reviews https://doi.org/10.1021/acs.chemrev.5b00691		May 2016
Accelerated search for materials with targeted properties by adaptive design No authors listed Nature Communications https://doi.org/10.1038/ncomms11241		April 2016
Accelerated Discovery of Large Electrostrains in BaTiO ₃ -Based Piezoelectrics Using Active Learning No authors listed Advanced Materials https://doi.org/10.1002/adma.201702884		January 2018
The Scherrer equation versus the 'Debye-Scherrer equation' No authors listed Nature Nanotechnology https://doi.org/10.1038/nnano.2011.145		August 2011
Two-step machine learning enables optimized nanoparticle synthesis No authors listed npj Computational Materials https://doi.org/10.1038/s41524-021-00520-w		April 2021
Influence of Algorithm Parameters of Bayesian Optimization, Genetic Algorithm, and Particle Swarm Optimization on Their Optimization Performance No authors listed Advanced Theory and Simulations https://doi.org/10.1002/adts.201900110		July 2019

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