This content will become publicly available on November 6, 2020
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:
-
[1];
[1];
[1]
- 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
This content will become publicly available on November 6, 2020
Publisher's Version of Record
DOI: 10.1039/C9CY02006C
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
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