On the active site for electrocatalytic water splitting on late transition metals embedded in graphene
Abstract
Transition-metal atoms embedded in nitrogen-doped graphene can be used for electrocatalytic water splitting, but there are open questions regarding the identity of the active site.
- Authors:
-
- Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1574055
- Grant/Contract Number:
- FG02-05ER15731
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Catalysis Science and Technology
- Additional Journal Information:
- Journal Name: Catalysis Science and Technology Journal Volume: 9 Journal Issue: 23; Journal ID: ISSN 2044-4753
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Kropp, Thomas, Rebarchik, Michael, and Mavrikakis, Manos. On the active site for electrocatalytic water splitting on late transition metals embedded in graphene. United Kingdom: N. p., 2019.
Web. doi:10.1039/C9CY02006C.
Kropp, Thomas, Rebarchik, Michael, & Mavrikakis, Manos. On the active site for electrocatalytic water splitting on late transition metals embedded in graphene. United Kingdom. doi:10.1039/C9CY02006C.
Kropp, Thomas, Rebarchik, Michael, and Mavrikakis, Manos. Mon .
"On the active site for electrocatalytic water splitting on late transition metals embedded in graphene". United Kingdom. doi:10.1039/C9CY02006C.
@article{osti_1574055,
title = {On the active site for electrocatalytic water splitting on late transition metals embedded in graphene},
author = {Kropp, Thomas and Rebarchik, Michael and Mavrikakis, Manos},
abstractNote = {Transition-metal atoms embedded in nitrogen-doped graphene can be used for electrocatalytic water splitting, but there are open questions regarding the identity of the active site.},
doi = {10.1039/C9CY02006C},
journal = {Catalysis Science and Technology},
number = 23,
volume = 9,
place = {United Kingdom},
year = {2019},
month = {11}
}
Free Publicly Available Full Text
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DOI: 10.1039/C9CY02006C
DOI: 10.1039/C9CY02006C
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Cited by: 1 work
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Works referenced in this record:
Highly efficient nitrogen and carbon coordinated N–Co–C electrocatalysts on reduced graphene oxide derived from vitamin-B12 for the hydrogen evolution reaction
journal, January 2019
- Sabhapathy, Palani; Liao, Chen-Cheng; Chen, Wei-Fu
- Journal of Materials Chemistry A, Vol. 7, Issue 12
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Molecular metal–Nx centres in porous carbon for electrocatalytic hydrogen evolution
journal, August 2015
- Liang, Hai-Wei; Brüller, Sebastian; Dong, Renhao
- Nature Communications, Vol. 6, Issue 1
Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials
journal, August 2015
- Zitolo, Andrea; Goellner, Vincent; Armel, Vanessa
- Nature Materials, Vol. 14, Issue 9
Rational Design of Single Molybdenum Atoms Anchored on N-Doped Carbon for Effective Hydrogen Evolution Reaction
journal, November 2017
- Chen, Wenxing; Pei, Jiajing; He, Chun-Ting
- Angewandte Chemie International Edition, Vol. 56, Issue 50
Atomic cobalt on nitrogen-doped graphene for hydrogen generation
journal, October 2015
- Fei, Huilong; Dong, Juncai; Arellano-Jiménez, M. Josefina
- Nature Communications, Vol. 6, Issue 1
Graphene Defects Trap Atomic Ni Species for Hydrogen and Oxygen Evolution Reactions
journal, February 2018
- Zhang, Longzhou; Jia, Yi; Gao, Guoping
- Chem, Vol. 4, Issue 2
Powering the planet: Chemical challenges in solar energy utilization
journal, October 2006
- Lewis, N. S.; Nocera, D. G.
- Proceedings of the National Academy of Sciences, Vol. 103, Issue 43, p. 15729-15735
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
A copper single-atom catalyst towards efficient and durable oxygen reduction for fuel cells
journal, January 2019
- Cui, Liting; Cui, Lirui; Li, Zhengjian
- Journal of Materials Chemistry A, Vol. 7, Issue 28
Carbon-Supported Divacancy-Anchored Platinum Single-Atom Electrocatalysts with Superhigh Pt Utilization for the Oxygen Reduction Reaction
journal, December 2018
- Liu, Jing; Jiao, Menggai; Mei, Bingbao
- Angewandte Chemie International Edition, Vol. 58, Issue 4
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
journal, January 2015
- Jiao, Yan; Zheng, Yao; Jaroniec, Mietek
- Chemical Society Reviews, Vol. 44, Issue 8
Single Metal Atoms Anchored in Two-Dimensional Materials: Bifunctional Catalysts for Fuel Cell Applications
journal, May 2018
- Back, Seoin; Kulkarni, Ambarish R.; Siahrostami, Samira
- ChemCatChem, Vol. 10, Issue 14
Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
journal, December 2018
- Cao, Linlin; Luo, Qiquan; Liu, Wei
- Nature Catalysis, Vol. 2, Issue 2
Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction
journal, February 2017
- Chen, Xiaoqi; Yu, Liang; Wang, Suheng
- Nano Energy, Vol. 32
Suppression of Hydrogen Evolution Reaction in Electrochemical N 2 Reduction Using Single-Atom Catalysts: A Computational Guideline
journal, July 2018
- Choi, Changhyeok; Back, Seoin; Kim, Na-Young
- ACS Catalysis, Vol. 8, Issue 8
Bending the rules: Contrasting vacancy energetics and migration in graphite and carbon nanotubes
journal, January 2006
- Krasheninnikov, A. V.; Lehtinen, P. O.; Foster, A. S.
- Chemical Physics Letters, Vol. 418, Issue 1-3
Rational Design of Graphene-Supported Single Atom Catalysts for Hydrogen Evolution Reaction
journal, January 2019
- Hossain, Md Delowar; Liu, Zhenjing; Zhuang, Minghao
- Advanced Energy Materials, Vol. 9, Issue 10
Highly stable single Pt atomic sites anchored on aniline-stacked graphene for hydrogen evolution reaction
journal, January 2019
- Ye, Shenghua; Luo, Feiyan; Zhang, Qianling
- Energy & Environmental Science, Vol. 12, Issue 3
Diffusion, Coalescence, and Reconstruction of Vacancy Defects in Graphene Layers
journal, November 2005
- Lee, Gun-Do; Wang, C. Z.; Yoon, Euijoon
- Physical Review Letters, Vol. 95, Issue 20
A Stable Single-Site Palladium Catalyst for Hydrogenations
journal, July 2015
- Vilé, Gianvito; Albani, Davide; Nachtegaal, Maarten
- Angewandte Chemie International Edition, Vol. 54, Issue 38
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity
journal, June 2019
- Kropp, Thomas; Mavrikakis, Manos
- ACS Catalysis, Vol. 9, Issue 8
Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts
journal, November 2018
- Patel, Anjli M.; Ringe, Stefan; Siahrostami, Samira
- The Journal of Physical Chemistry C, Vol. 122, Issue 51
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
journal, October 2015
- Wellendorff, Jess; Silbaugh, Trent L.; Garcia-Pintos, Delfina
- Surface Science, Vol. 640
Single Nickel Atoms Anchored on Nitrogen-Doped Graphene as a Highly Active Cocatalyst for Photocatalytic H 2 Evolution
journal, October 2018
- Zhao, Qi; Sun, Jie; Li, Suchun
- ACS Catalysis, Vol. 8, Issue 12
Photochemical Solid-Phase Synthesis of Platinum Single Atoms on Nitrogen-Doped Carbon with High Loading as Bifunctional Catalysts for Hydrogen Evolution and Oxygen Reduction Reactions
journal, July 2018
- Li, Tuanfeng; Liu, Jingjun; Song, Ye
- ACS Catalysis, Vol. 8, Issue 9
Solar Water Splitting Cells
journal, November 2010
- Walter, Michael G.; Warren, Emily L.; McKone, James R.
- Chemical Reviews, Vol. 110, Issue 11, p. 6446-6473
Trends in the Exchange Current for Hydrogen Evolution
journal, January 2005
- Nørskov, J. K.; Bligaard, T.; Logadottir, A.
- Journal of The Electrochemical Society, Vol. 152, Issue 3
Densely Populated Isolated Single CoN Site for Efficient Oxygen Electrocatalysis
journal, April 2019
- Wu, Jiabin; Zhou, He; Li, Qun
- Advanced Energy Materials, Vol. 9, Issue 22
Understanding the activity and selectivity of single atom catalysts for hydrogen and oxygen evolution via ab initial study
journal, January 2018
- Gao, Guoping; Bottle, Steven; Du, Aijun
- Catalysis Science & Technology, Vol. 8, Issue 4
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
journal, November 2004
- Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.
- The Journal of Physical Chemistry B, Vol. 108, Issue 46
Single-Atomic Ruthenium Catalytic Sites on Nitrogen-Doped Graphene for Oxygen Reduction Reaction in Acidic Medium
journal, June 2017
- Zhang, Chenhao; Sha, Junwei; Fei, Huilong
- ACS Nano, Vol. 11, Issue 7
Single Tungsten Atoms Supported on MOF-Derived N-Doped Carbon for Robust Electrochemical Hydrogen Evolution
journal, June 2018
- Chen, Wenxing; Pei, Jiajing; He, Chun-Ting
- Advanced Materials, Vol. 30, Issue 30
Coordination-controlled single-atom tungsten as a non-3d-metal oxygen reduction reaction electrocatalyst with ultrahigh mass activity
journal, June 2019
- Chen, Zhigang; Gong, Wenbin; Liu, Zhibo
- Nano Energy, Vol. 60
Platinum single-atom and cluster catalysis of the hydrogen evolution reaction
journal, November 2016
- Cheng, Niancai; Stambula, Samantha; Wang, Da
- Nature Communications, Vol. 7, Issue 1
Towards the computational design of solid catalysts
journal, April 2009
- Nørskov, J.; Bligaard, T.; Rossmeisl, J.
- Nature Chemistry, Vol. 1, Issue 1, p. 37-46
Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst
journal, August 2017
- Chung, Hoon T.; Cullen, David A.; Higgins, Drew
- Science, Vol. 357, Issue 6350
Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production
journal, October 2015
- Qiu, H. -J.; Ito, Yoshikazu; Cong, Weitao
- Angewandte Chemie International Edition, Vol. 54, Issue 47
Dynamic traction of lattice-confined platinum atoms into mesoporous carbon matrix for hydrogen evolution reaction
journal, January 2018
- Zhang, Huabin; An, Pengfei; Zhou, Wei
- Science Advances, Vol. 4, Issue 1