Simulating the redox potentials of unexplored phenazine derivatives as electron mediators for biofuel cells

Ryo Nakagawa; Yuta Nishina

doi:10.1088/2515-7655/abebc8

Simulating the redox potentials of unexplored phenazine derivatives as electron mediators for biofuel cells

Ryo Nakagawa, Yuta Nishina

Research Core for Interdisciplinary Sciences

Research output: Contribution to journal › Article › peer-review

Abstract

In this research, we aimed to establish a guideline for designing electron mediators suitable for biofuel cells. A redox potential simulator was fabricated by combining density functional theory calculation and experiment, allowing us to select molecules with appropriate redox potentials efficiently. Previously, mediators have been developed depending on the trials and errors; thus, our strategy will speed up the development of biofuel cells with outstanding performances.

Original language	English
Article number	034008
Journal	JPhys Energy
Volume	3
Issue number	3
DOIs	https://doi.org/10.1088/2515-7655/abebc8
Publication status	Published - Jul 2021

Keywords

DFT
mediator
phenazine
redox potential
simulation

ASJC Scopus subject areas

Energy(all)
Materials Chemistry
Materials Science (miscellaneous)

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10.1088/2515-7655/abebc8

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abstract = "In this research, we aimed to establish a guideline for designing electron mediators suitable for biofuel cells. A redox potential simulator was fabricated by combining density functional theory calculation and experiment, allowing us to select molecules with appropriate redox potentials efficiently. Previously, mediators have been developed depending on the trials and errors; thus, our strategy will speed up the development of biofuel cells with outstanding performances.",

keywords = "DFT, mediator, phenazine, redox potential, simulation",

author = "Ryo Nakagawa and Yuta Nishina",

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N2 - In this research, we aimed to establish a guideline for designing electron mediators suitable for biofuel cells. A redox potential simulator was fabricated by combining density functional theory calculation and experiment, allowing us to select molecules with appropriate redox potentials efficiently. Previously, mediators have been developed depending on the trials and errors; thus, our strategy will speed up the development of biofuel cells with outstanding performances.

AB - In this research, we aimed to establish a guideline for designing electron mediators suitable for biofuel cells. A redox potential simulator was fabricated by combining density functional theory calculation and experiment, allowing us to select molecules with appropriate redox potentials efficiently. Previously, mediators have been developed depending on the trials and errors; thus, our strategy will speed up the development of biofuel cells with outstanding performances.

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KW - phenazine

KW - redox potential

KW - simulation

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Simulating the redox potentials of unexplored phenazine derivatives as electron mediators for biofuel cells

Abstract

Keywords

ASJC Scopus subject areas

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