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Theoretical and Computational Chemistry

Working Paper

Accurate Multi-Objective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

Jon Paul Janet, Sahasrajit Ramesh, Chenru Duan, Heather Kulik

Version 1 posted 20 December 2019

861

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Energy

Working Paper

A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage

Qi Zhang, Abhishek Khetan, Süleyman Er

Version 1 posted 09 September 2020

326

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Chemical Engineering and Industrial Chemistry

Working Paper

A spreadsheet-based redox flow battery cell cycling model enabled by closed-form approximations

Bertrand Neyhouse, Fikile Brushett

Version 1 posted 02 April 2024

563

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Inorganic Chemistry

Working Paper

Synthesis and Characterization of an Iron(II) Bipyridine Redox-Active Polymer

Adolfo I. B. Romo, Joaquin Rodriguez-Lopez

Version 1 posted 11 September 2023

243

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Theoretical and Computational Chemistry

Working Paper

Understanding Electrochemical Reversibility using Density Functional Theory: Bridging Theoretical Scheme of Squares and Experimental Cyclic Voltammetry

Amir Mahdian, Arsalan Hashemi, Kari Laasonen

Version 1 posted 16 July 2024

152

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Chemical Engineering and Industrial Chemistry

Working Paper

A computationally efficient, zero-dimensional stack model for simulating redox flow battery performance

Bertrand Neyhouse, Nicholas Price, Fikile Brushett

Version 1 posted 12 September 2024

232

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Energy

Working Paper

Investigating the Coupled Influence of Flow Fields and Porous Electrodes on Redox Flow Battery Performance

Vanesa Muñoz-Perales, Pablo Ángel García-Salaberri, Adrian Mularczyk, Santiago Enrique Ibáñez, Marcos Vera, Antoni Forner-Cuenca

Version 1 posted 30 January 2023

643

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2

Citations

Materials Chemistry

Working Paper

Charge-Dependent Crossover in Aqueous Organic Redox Flow Batteries Revealed Using On-Line NMR Spectroscopy

Emma J. Latchem, Thomas Kress, Peter A. A. Klusener, R. Vasant Kumar, Alexander C. Forse

Version 2 posted 05 December 2023

559

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Theoretical and Computational Chemistry

Working Paper

A versatile optimization framework for porous electrode design

Maxime van der Heijden, Gabor Szendrei, Victor de Haas, Antoni Forner-Cuenca

Version 1 posted 27 November 2023

173

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Theoretical and Computational Chemistry

Working Paper

Predicting the Redox Potentials of Phenazine Derivatives using DFT Assisted Machine Learning

Siddharth Ghule, Soumya Dash, Sayan Bagchi, Kavita Joshi, Kumar Vanka

Version 3 posted 04 January 2022

1,130

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1

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Refine Search

20 results in Redox Flow Batteries in Keywords: Redox Flow Batteries

Accurate Multi-Objective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage

A spreadsheet-based redox flow battery cell cycling model enabled by closed-form approximations

Synthesis and Characterization of an Iron(II) Bipyridine Redox-Active Polymer

Understanding Electrochemical Reversibility using Density Functional Theory: Bridging Theoretical Scheme of Squares and Experimental Cyclic Voltammetry

A computationally efficient, zero-dimensional stack model for simulating redox flow battery performance

Investigating the Coupled Influence of Flow Fields and Porous Electrodes on Redox Flow Battery Performance

Charge-Dependent Crossover in Aqueous Organic Redox Flow Batteries Revealed Using On-Line NMR Spectroscopy

A versatile optimization framework for porous electrode design

Predicting the Redox Potentials of Phenazine Derivatives using DFT Assisted Machine Learning

20 results in Keywords: Redox Flow Batteries