Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

2021 ◽  
Author(s):  
Garvit Agarwal ◽  
Hieu A. Doan ◽  
Lily A. Robertson ◽  
Lu Zhang ◽  
Rajeev S. Assary
Keyword(s):  
Energy Storage ◽  
Quantum Chemistry ◽  
Bayesian Optimization ◽  
Molecular Materials

Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials

2020 ◽  
Vol 32 (15) ◽  
pp. 6338-6346 ◽  
Author(s):  
Hieu A. Doan ◽  
Garvit Agarwal ◽  
Hai Qian ◽  
Michael J. Counihan ◽  
Joaquín Rodríguez-López ◽  
...  
Keyword(s):  
Energy Storage ◽  
Active Learning ◽  
Quantum Chemistry ◽  
Sustainable Energy ◽  
Energy Storage Materials ◽  
Storage Materials

scholarly journals Molecular Materials for Energy Storage

2018 ◽  
Vol 09 (06) ◽  
pp. 517-525
Author(s):  
Lev Mourokh ◽  
Carine Edder ◽  
Wolfgang Mack ◽  
Pavel Lazarev
Keyword(s):  
Energy Storage ◽  
Molecular Materials

scholarly journals Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications

2021 ◽  
Vol 130 (20) ◽  
pp. 204102
Author(s):  
Arpan Biswas ◽  
Anna N. Morozovska ◽  
Maxim Ziatdinov ◽  
Eugene A. Eliseev ◽  
Sergei V. Kalinin
Keyword(s):  
Energy Storage ◽  
Ferroelectric Materials ◽  
Bayesian Optimization ◽  
Multi Objective ◽  
Energy Storage Applications

Progress and perspectives on halide lithium conductors for all-solid-state lithium batteries

2020 ◽  
Vol 13 (5) ◽  
pp. 1429-1461 ◽  
Author(s):  
Xiaona Li ◽  
Jianwen Liang ◽  
Xiaofei Yang ◽  
Keegan R. Adair ◽  
Changhong Wang ◽  
...  
Keyword(s):  
Energy Storage ◽  
Solid State ◽  
Lithium Batteries ◽  
Electrochemical Stability ◽  
Superionic Conductors ◽  
Fundamental Understanding ◽  
Potential Applications ◽  
Synthesis Routes

This review focuses on fundamental understanding, various synthesis routes, chemical/electrochemical stability of halide-based lithium superionic conductors, and their potential applications in energy storage as well as related challenges.

An aqueous hybrid electrolyte for low-temperature zinc-based energy storage devices

2020 ◽  
Vol 13 (10) ◽  
pp. 3527-3535 ◽  
Author(s):  
Nana Chang ◽  
Tianyu Li ◽  
Rui Li ◽  
Shengnan Wang ◽  
Yanbin Yin ◽  
...  
Keyword(s):  
Energy Storage ◽  
Low Temperature ◽  
Energy Storage Devices ◽  
Storage Devices

A frigostable aqueous hybrid electrolyte enabled by the solvation interaction of Zn2+–EG is proposed for low-temperature zinc-based energy storage devices.

Ultrahigh Energy Storage Performances of Polymer-based Nanocomposite via Interfaces Engneering

2020 ◽  
Author(s):  
Peng Wang ◽  
Zhongbin Pan ◽  
Weilin Wang ◽  
Jianxu Hu ◽  
Jinjun Liu ◽  
...  
Keyword(s):  
Dielectric Constant ◽  
Energy Storage ◽  
High Performance ◽  
Breakdown Strength ◽  
Composite Films ◽  
Power Electronic ◽  
Ultrahigh Energy

High-performance electrostatic capacitors are in urgent demand owing to the rapidly development of advanced power electronic applications. However, polymer-based composite films with both high breakdown strength (Eb) and dielectric constant...

Molecular materials based upon organic π-donors and magnetic anions

2000 ◽  
Vol 10 (PR3) ◽  
pp. Pr3-35-Pr3-40 ◽  
Author(s):  
S. Triki ◽  
F. Bérézovsky ◽  
J. Sala Pala ◽  
C. J. Gómez-García ◽  
E. Coronado
Keyword(s):  
Molecular Materials
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