Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries

Zhenghang Zhao; Mingtao Li; Lipeng Zhang; Liming Dai; Zhenhai Xia

doi:10.1002/adma.201503211

Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries

Zhenghang Zhao
, Mingtao Li
, Lipeng Zhang
, Liming Dai
, Zhenhai Xia

School of Energy and Power Engineering

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

539 Scopus citations

Abstract

Oxygen reduction reaction/oxygen evolution reaction (ORR/OER) catalytic activities of p-orbital heteroatom-doped carbon nanomaterials are demonstrated to correlate to the combination of the electron affinity and electronegativity of doping elements, which serves as an activity descriptor for the entire family of p-block element dopants. Such a descriptor has predictive power and enables effective design of new bifunctional catalysts with enhanced ORR/OER activities.

Original language	English
Pages (from-to)	6834-6840
Number of pages	7
Journal	Advanced Materials
Volume	27
Issue number	43
DOIs	https://doi.org/10.1002/adma.201503211
State	Published - 18 Nov 2015

Keywords

carbon nanomaterials
catalysis
density functional theory calculations
energy conversion
fuel cells

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10.1002/adma.201503211

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title = "Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries",

abstract = "Oxygen reduction reaction/oxygen evolution reaction (ORR/OER) catalytic activities of p-orbital heteroatom-doped carbon nanomaterials are demonstrated to correlate to the combination of the electron affinity and electronegativity of doping elements, which serves as an activity descriptor for the entire family of p-block element dopants. Such a descriptor has predictive power and enables effective design of new bifunctional catalysts with enhanced ORR/OER activities.",

keywords = "carbon nanomaterials, catalysis, density functional theory calculations, energy conversion, fuel cells",

author = "Zhenghang Zhao and Mingtao Li and Lipeng Zhang and Liming Dai and Zhenhai Xia",

note = "Publisher Copyright: {\textcopyright} 2015 Wiley-VCH Verlag GmbH \& Co. KGaA, Weinheim.",

year = "2015",

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doi = "10.1002/adma.201503211",

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T1 - Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries

AU - Zhao, Zhenghang

AU - Li, Mingtao

AU - Zhang, Lipeng

AU - Dai, Liming

AU - Xia, Zhenhai

PY - 2015/11/18

Y1 - 2015/11/18

N2 - Oxygen reduction reaction/oxygen evolution reaction (ORR/OER) catalytic activities of p-orbital heteroatom-doped carbon nanomaterials are demonstrated to correlate to the combination of the electron affinity and electronegativity of doping elements, which serves as an activity descriptor for the entire family of p-block element dopants. Such a descriptor has predictive power and enables effective design of new bifunctional catalysts with enhanced ORR/OER activities.

AB - Oxygen reduction reaction/oxygen evolution reaction (ORR/OER) catalytic activities of p-orbital heteroatom-doped carbon nanomaterials are demonstrated to correlate to the combination of the electron affinity and electronegativity of doping elements, which serves as an activity descriptor for the entire family of p-block element dopants. Such a descriptor has predictive power and enables effective design of new bifunctional catalysts with enhanced ORR/OER activities.

KW - carbon nanomaterials

KW - catalysis

KW - density functional theory calculations

KW - energy conversion

KW - fuel cells

UR - https://www.scopus.com/pages/publications/84954511370

U2 - 10.1002/adma.201503211

DO - 10.1002/adma.201503211

M3 - 文章

AN - SCOPUS:84954511370

SN - 0935-9648

VL - 27

SP - 6834

EP - 6840

JO - Advanced Materials

JF - Advanced Materials

IS - 43

ER -

Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries

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