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RESEARCH PAPER · Advanced Materials · 2016

Rational Co‐Design of Polymer Dielectrics for Energy Storage

Arun Mannodi‐Kanakkithodi, Gregory Martin Treich, Tran Doan Huan, Rui Ma, Mattewos B. Tefferi, Yang Cao, Gregory Allen Sotzing, Rampi Ramprasad

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Rational Co‐Design of Polymer Dielectrics for Energy StorageOriginalAdvanced polymeric dielectrics for high energy density applications387Optimization of Organotin Polymers for Dielectric Applications44Multi-objective optimization techniques to design the Pareto front of organic dielectric polymers55Critical assessment of regression-based machine learning methods for polymer dielectrics55Novel crosslinkable high-k copolymer dielectrics for high-energy-density capacitors and organic field-effect transistor applications101Significantly improved dielectric performances of sandwich-structured polymer composites induced by alternating positive-k and negative-k layers140High-Energy-Density Polymer Nanocomposites Composed of Newly Structured One-Dimensional BaTiO3@Al2O3 Nanofibers267Flexible Dielectric Nanocomposites with Ultrawide Zero-Temperature Coefficient Windows for Electrical Energy Storage and Conversion under Extreme Conditions37A rational co-design approach to the creation of new dielectric polymers with high energy density31Ultrafast Discharge and High-Energy-Density of Polymer Nanocomposites Achieved via Optimizing the Structure Design of Barium Titanates124A hybrid organic-inorganic perovskite dataset174Relationship between microstructure and dielectric property of hydroxyl-terminated butadiene–acrylonitrile copolymer-based polyurethanes19Electronic Structure of Polyethylene: Role of Chemical, Morphological and Interfacial Complexity77Machine Learning and Materials Informatics: Recent Applications and Prospects8Percolation of carbon nanomaterials for high-k polymer nanocomposites33A universal strategy for the creation of machine learning-based atomistic force fields230A novel aromatic polyurea for high energy density capacitors2Mining Materials Design Rules from Data: The Example of Polymer Dielectrics62Effect of hard segment content on structure, dielectric and mechanical properties of hydroxyl-terminated butadiene-acrylonitrile copolymer-based polyurethane elastomers67Materials Data Infrastructure and Materials Informatics29Significantly Enhanced Dielectric Performances and High Thermal Conductivity in Poly(vinylidene fluoride)-Based Composites Enabled by SiC@SiO 2 Core–Shell Whiskers Alignment97Machine learning in materials informatics: recent applications and prospects1912Polymer Dielectrics for Capacitor Application34Microstructure and dielectric properties of BZT-BCT/PVDF nanocomposites56Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond202A Comparative Study of Visco-Elastic Properties of non-Polar and Polar Polymer Dielectrics3Fundamentals of Dielectric Theories103Accelerated Discovery of Large Electrostrains in BaTiO3‐Based Piezoelectrics Using Active Learning395Rational Design and Modification of High- k Bis(double-stranded) Block Copolymer for High Electrical Energy Storage Capability73Dielectric polymers with novel chemistry, compositions and architectures205Poly(vinylidene fluoride)-Based composites modulated via multiscale two-dimensional fillers for high dielectric performances45Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions513Dielectric Ceramics and Films for Electrical Energy Storage5A material genome approach towards exploration of Zn and Cd coordination complex polyester as dielectrics: Design, synthesis and characterization11Electronic Structure of Polymer Dielectrics: The Role of Chemical and Morphological Complexity52High-k polymer nanocomposites with 1D filler for dielectric and energy storage applications550Rational Design of Polymer Dielectrics: An Application of Density Functional Theory and Machine Learning2Soft Matter Informatics: Current Progress and Challenges65Sn‐Polyester/Polyimide Hybrid Flexible Free‐Standing Film as a Tunable Dielectric Material22Superior discharge energy density and efficiency in polymer nanocomposites induced by linear dielectric core–shell nanofibers105Machine Learning Constrained with Dimensional Analysis and Scaling Laws: Simple, Transferable, and Interpretable Models of Materials from Small Datasets40Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures102High energy density and high efficiency all-organic polymers with enhanced dipolar polarization91Sulfonyl‐Containing Polyimide Dielectrics with Advanced Heat Resistance and Dielectric Properties for High‐Temperature Capacitor Applications79Improved energy storage performance of Ba0.4Sr0.6TiO3 nanocrystalline ceramics prepared by using oxalate co-precipitation and spark plasma sintering26Solving the electronic structure problem with machine learning314Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide49Review of Polymer‐Based Nanodielectric Exploration and Film Scale‐Up for Advanced Capacitors496Improved Dielectric Properties in Polypropylene/Poly(vinylidene fluoride) Binary Blends Containing Boron Nitride Nanosheets: Toward High-Voltage Current Application30Revealing the correlation between molecular structure and dielectric properties of carbonyl‐containing polyimide dielectrics30Fiber Reinforced Layered Dielectric Nanocomposite105Electrochemical Stability Window of Polymeric Electrolytes159Active-learning and materials design: the example of high glass transition temperature polymers143Polymer-based materials for achieving high energy density film capacitors298High dielectric constant dipolar glass polymer based on sulfonylated poly(ether ether ketone)53Machine learning models for the lattice thermal conductivity prediction of inorganic materials165Data‐Driven Materials Science: Status, Challenges, and Perspectives700Dipole-relaxation dynamics in a modified polythiourea with high dielectric constant for energy storage applications39Tuning Conformational H-Bonding Arrays in Aromatic/Alicyclic Polythiourea toward High Energy-Storable Dielectric Material53Asymmetric alicyclic amine-polyether amine molecular chain structure for improved energy storage density of high-temperature crosslinked polymer capacitor147Predicting the hydrogen release ability of LiBH 4 -based mixtures by ensemble machine learning1063D printing of anisotropic polymer nanocomposites with aligned BaTiO 3 nanowires for enhanced energy density22Discovery and design of soft polymeric bio-inspired materials with multiscale simulations and artificial intelligence83Polymer Genome: A Polymer Informatics Platform to Accelerate Polymer Discovery14Research progress of polymer based dielectrics for high-temperature capacitor energy storage27Machine-Learning-Assisted De Novo Design of Organic Molecules and Polymers: Opportunities and Challenges191Facile Synthesis of Isotactic Polyacrylonitrile via Template Polymerization in Interlayer Space for Dielectric Energy Storage13Growing field of materials informatics: databases and artificial intelligence22Rational Design of Soluble Polyaramid for High‐Efficiency Energy Storage Dielectric Materials at Elevated Temperatures68A charge density prediction model for hydrocarbons using deep neural networks26Flexible Temperature‐Invariant Polymer Dielectrics with Large Bandgap253Poly(arylene ether nitrile) ternary dielectric composites modulated via polydopamine-assisted BaTiO3 decorating MoS2 sheets31Recent advances in rational design of polymer nanocomposite dielectrics for energy storage241Frequency-dependent dielectric constant prediction of polymers using machine learning202The search for enhanced dielectric strength of polymer‐based dielectrics: A focused review on polymer nanocomposites262Developing Highly Tough, Heat-Resistant Blend Thermosets Based on Silicon-Containing Arylacetylene: A Material Genome Approach47Optimizing the Interdomain Spacing in Alicyclic Polythiourea toward High‐Energy‐Storable Dielectric Material25Adaptive machine learning for efficient materials design31Polymer Structure Prediction from First Principles46Computable Bulk and Interfacial Electronic Structure Features as Proxies for Dielectric Breakdown of Polymers282D-MoS2/BMN Ceramic Hybrid Structure Flexible TFTs with Tunable Device Properties8Polymer design using genetic algorithm and machine learning251Introduction of a Stable Radical in Polymer Capacitor Enables High Energy Storage and Pulse Discharge Efficiency49A Modified Polyetherimide Film Exhibiting Greatly Suppressed Conduction for High-temperature Dielectric Energy Storage4Machine-learning predictions of polymer properties with Polymer Genome276Emerging materials intelligence ecosystems propelled by machine learning440A dual cross-linked aromatic polythiourea gate dielectric with multifunctional capabilities for organic field-effect transistors7Polymer informatics: Current status and critical next steps272First principles modeling of polymer encapsulant degradation in Si photovoltaic modules3Tri-layer architectured epoxy composites with high electrical permittivity0Constructing High-Performance Dielectrics via Molecular and Phase Engineering in Dipolar Polymers27Barrier heights of polymer-electrode interfaces measured via photo injection current method13Enhanced dielectric constant of PVDF-based nanocomposites with one-dimensional core-shell polypyrrole/sepiolite nanofibers40Machine learning identified materials descriptors for ferroelectricity110Research Progress of All Organic Polymer Dielectrics for Energy Storage from the Classification of Organic Structures48Novel high voltage polymer insulators using computational and data-driven techniques28Gold/ultra‐high molecular weight polyethylene nanocomposites for electrical energy storage: Enhanced recovery efficiency upon uniaxial deformation12A Facile In Situ Surface‐Functionalization Approach to Scalable Laminated High‐Temperature Polymer Dielectrics with Ultrahigh Capacitive Performance243High Dielectric and Energy Storage Polymer Dielectrics1Data-assisted polymer retrosynthesis planning31Reviving the “Schottky” Barrier for Flexible Polymer Dielectrics with a Superior 2D Nanoassembly Coating107Remarks on the Design of Flexible High-Temperature Polymer Dielectrics for Emerging Grand Electrification - Exemplified by Poly(oxa)norbornenes13Dielectric Polymers Tolerant to Electric Field and Temperature Extremes: Integration of Phenomenology, Informatics, and Experimental Validation40Epoxy-based/BaTiO3 nanodielectrics: Relaxation dynamics, charge transport and energy storage33polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics79Flexible cyclic-olefin with enhanced dipolar relaxation for harsh condition electrification77Review of machine learning‐driven design of polymer‐based dielectrics50High-temperature polyimide dielectric materials for energy storage: theory, design, preparation and properties541Self-assembly 2D Montmorillonite Coating to Impede Charge Injection to Polystyrene0Recent Progress and Future Prospects on All-Organic Polymer Dielectrics for Energy Storage Capacitors743Data-Driven Methods for Accelerating Polymer Design122Flexible polyolefin dielectric by strategic design of organic modules for harsh condition electrification196High dielectric constant and high breakdown strength polyimide via tin complexation of the polyamide acid precursor17Recent progress on dielectric polymers and composites for capacitive energy storage43Polymer Structure Predictor (PSP): A Python Toolkit for Predicting Atomic-Level Structural Models for a Range of Polymer Geometries34Energy Storage Application of All-Organic Polymer Dielectrics: A Review87Machine learning in energy storage materials106Tunable Dielectric Properties in Paraffin-Matrix Metacomposites via Macro-Scale Periodic Stacking of the Functional Fillers0Dipolar Glass Polymers for Capacitive Energy Storage at Room Temperatures and Elevated Temperatures25Synthesis of dielectric polystyrene via one-step nitration reaction for large-scale energy storage74Scalable self-assembly interfacial engineering for high-temperature dielectric energy storage17Design of silicon-containing arylacetylene resins aided by machine learning enhanced materials genome approach58Prediction of high-temperature polymer dielectrics using a Bayesian molecular design model14Improving the Rotational Freedom of Polyetherimide: Enhancement of the Dielectric Properties of a Commodity High-Temperature Polymer Using a Structural Defect64Polyimide Nanodielectrics Doped with Ultralow Content of MgO Nanoparticles for High-Temperature Energy Storage36Solution-processable and photocurable aromatic polyurea gate dielectrics for high-performance organic thin-film transistors3Rational design of all-organic flexible high-temperature polymer dielectrics74Regulation of Interfacial Polarization and Local Electric Field Strength Achieved Highly Energy Storage Performance in Polyetherimide Nanocomposites at Elevated Temperature via 2D Hybrid Structure22Machine-Learning-Based Predictions of Polymer and Postconsumer Recycled Polymer Properties: A Comprehensive Review62High‐Energy‐Density and High Efficiency Polymer Dielectrics for High Temperature Electrostatic Energy Storage: A Review158Modulating electron traps of PEI-based nanocomposites for superb capacitive performance over a broad temperature range69High-temperature energy storage polyimide dielectric materials: polymer multiple-structure design136A mini-review on the dielectric properties of cellulose and nanocellulose-based materials as electronic components147Alicyclic polyimides with large band gaps exhibit superior high-temperature capacitive energy storage161Discovery of thermosetting polymers with low hygroscopicity, low thermal expansivity, and high modulus by machine learning35Integrated exploration of experimentation and molecular simulation in ester-containing polyimide dielectrics8All-organic nanocomposite dielectrics contained with polymer dots for high-temperature capacitive energy storage66Impact of oxygen-containing carbonyl and ether groups on dielectric properties of poly(oxa)norbornene cyclic olefins14Design strategies of perovskite energy-storage dielectrics for next-generation capacitors115Research progress of intrinsic polymer dielectrics with high permittivity19Auxiliary guidance manufacture and revealing potential mechanism of perovskite solar cell using machine learning18Effect of Fluorine in Redesigning Energy-Storage Properties of High-Temperature Dielectric Polymers33Dynamic Cross-Linked Polyethylene Networks with High Energy Storage and Electrical Damage Self-Healability29Significantly improved high-temperature capacitive performance in polypropylene based on molecular semiconductor grafting47Polymer dielectrics for high-temperature energy storage: Constructing carrier traps241Interpretable Machine Learning to Discover Perovskites with High Spontaneous Polarization11Engineering the Dielectric Constants of Polymers: From Molecular to Mesoscopic Scales139Organic polymers revolution: Applications and formation strategies, and future perspectives31Enhancing the high-temperature energy storage properties of PEI dielectrics by constructing trap-rich covalently cross-linked networks via POSS-functionalized BNNS57Improving Charge Storage of Biaxially‐Oriented Polypropylene under Extreme Electric Fields by Excimer UV Irradiation81

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  1. Advanced polymeric dielectrics for high energy density applications

    Progress in Materials Science · 2016-05-04

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  2. Optimization of Organotin Polymers for Dielectric Applications

    ACS Applied Materials & Interfaces · 2016-07-28

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  3. Multi-objective optimization techniques to design the Pareto front of organic dielectric polymers

    Computational Materials Science · 2016-09-05

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  4. Critical assessment of regression-based machine learning methods for polymer dielectrics

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  5. Novel crosslinkable high-k copolymer dielectrics for high-energy-density capacitors and organic field-effect transistor applications

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  6. Significantly improved dielectric performances of sandwich-structured polymer composites induced by alternating positive-k and negative-k layers

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  7. High-Energy-Density Polymer Nanocomposites Composed of Newly Structured One-Dimensional BaTiO3@Al2O3 Nanofibers

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  8. Flexible Dielectric Nanocomposites with Ultrawide Zero-Temperature Coefficient Windows for Electrical Energy Storage and Conversion under Extreme Conditions

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  9. A rational co-design approach to the creation of new dielectric polymers with high energy density

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  10. Ultrafast Discharge and High-Energy-Density of Polymer Nanocomposites Achieved via Optimizing the Structure Design of Barium Titanates

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  11. A hybrid organic-inorganic perovskite dataset

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  12. Relationship between microstructure and dielectric property of hydroxyl-terminated butadiene–acrylonitrile copolymer-based polyurethanes

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  13. Electronic Structure of Polyethylene: Role of Chemical, Morphological and Interfacial Complexity

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  14. Machine Learning and Materials Informatics: Recent Applications and Prospects

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  15. Percolation of carbon nanomaterials for high-k polymer nanocomposites

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  16. A universal strategy for the creation of machine learning-based atomistic force fields

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  17. A novel aromatic polyurea for high energy density capacitors

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  18. Mining Materials Design Rules from Data: The Example of Polymer Dielectrics

    Chemistry of Materials · 2017-10-03

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  19. Effect of hard segment content on structure, dielectric and mechanical properties of hydroxyl-terminated butadiene-acrylonitrile copolymer-based polyurethane elastomers

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  20. Materials Data Infrastructure and Materials Informatics

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  21. Significantly Enhanced Dielectric Performances and High Thermal Conductivity in Poly(vinylidene fluoride)-Based Composites Enabled by SiC@SiO 2 Core–Shell Whiskers Alignment

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  22. Machine learning in materials informatics: recent applications and prospects

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  23. Polymer Dielectrics for Capacitor Application

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  24. Microstructure and dielectric properties of BZT-BCT/PVDF nanocomposites

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  25. Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

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  26. A Comparative Study of Visco-Elastic Properties of non-Polar and Polar Polymer Dielectrics

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  27. Fundamentals of Dielectric Theories

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  29. Rational Design and Modification of High- k Bis(double-stranded) Block Copolymer for High Electrical Energy Storage Capability

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  34. A material genome approach towards exploration of Zn and Cd coordination complex polyester as dielectrics: Design, synthesis and characterization

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  35. Electronic Structure of Polymer Dielectrics: The Role of Chemical and Morphological Complexity

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  36. High-k polymer nanocomposites with 1D filler for dielectric and energy storage applications

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  37. Rational Design of Polymer Dielectrics: An Application of Density Functional Theory and Machine Learning

    Royal Society of Chemistry eBooks · 2018-10-30

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  38. Soft Matter Informatics: Current Progress and Challenges

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  39. Sn‐Polyester/Polyimide Hybrid Flexible Free‐Standing Film as a Tunable Dielectric Material

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  40. Superior discharge energy density and efficiency in polymer nanocomposites induced by linear dielectric core–shell nanofibers

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  41. Machine Learning Constrained with Dimensional Analysis and Scaling Laws: Simple, Transferable, and Interpretable Models of Materials from Small Datasets

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  42. Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures

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  43. High energy density and high efficiency all-organic polymers with enhanced dipolar polarization

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  44. Sulfonyl‐Containing Polyimide Dielectrics with Advanced Heat Resistance and Dielectric Properties for High‐Temperature Capacitor Applications

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  45. Improved energy storage performance of Ba0.4Sr0.6TiO3 nanocrystalline ceramics prepared by using oxalate co-precipitation and spark plasma sintering

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  46. Solving the electronic structure problem with machine learning

    npj Computational Materials · 2019-02-18

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  47. Comprehensive Computational Study of Partial Lead Substitution in Methylammonium Lead Bromide

    Chemistry of Materials · 2019-03-19

    Arun Mannodi‐Kanakkithodi, Ji‐Sang Park, Nari Jeon, Duyen H. Cao, David J. Gosztola, Alex B. F. Martinson, Maria K. Y. Chan

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  48. Review of Polymer‐Based Nanodielectric Exploration and Film Scale‐Up for Advanced Capacitors

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  49. Improved Dielectric Properties in Polypropylene/Poly(vinylidene fluoride) Binary Blends Containing Boron Nitride Nanosheets: Toward High-Voltage Current Application

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  50. Revealing the correlation between molecular structure and dielectric properties of carbonyl‐containing polyimide dielectrics

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