High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System
Abstract
Solar photoelectrochemical generation of fuel is a promising energy technology yet the lack of an efficient, robust photoanode remains a primary materials challenge in the development and deployment of solar fuels generators. Metal oxides comprise the most promising class of photoanode materials, but no known material meets the demanding requirements of low band gap energy, photoelectrocatalysis of the oxygen evolution reaction, and stability under highly oxidizing conditions. Here, we report the identification of new photoelectroactive materials through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. We identify 4 photoelectrocatalyst phases - α-Cu2V2O7, β-Cu2V2O7, γ-Cu3V2O8, and Cu11V6O26 - with band gap energy at or below 2 eV. The photoelectrochemical properties and 30-minute stability of these copper vanadate phases are demonstrated in 3 different aqueous electrolytes (pH 7, pH 9, and pH 13), with select combinations of phase and electrolyte exhibiting unprecedented photoelectrocatalytic stability for metal oxides with sub-2 eV band gap. Through integration of experimental and theoretical techniques, we determine new structure-property relationships and establish CuO-V2O5 as the most prominent composition system for OER photoelectrocatalysts, providing crucial information for materials genomes initiatives and paving the way for continued development of solar fuels photoanodes.
- Authors:
-
- California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics; Kavli Energy NanoSciences Inst., Berkeley, CA (United States)
- Publication Date:
- Research Org.:
- California Institute of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1334191
- Grant/Contract Number:
- SC0004993; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Energy Materials
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 22; Journal ID: ISSN 1614-6832
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY; solar fuels; copper vanadate; high throughput experimentation; DFT calculations; photoelectrochemistry
Citation Formats
Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., and Gregoire, John M. High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System. United States: N. p., 2015.
Web. doi:10.1002/aenm.201500968.
Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., & Gregoire, John M. High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System. United States. https://doi.org/10.1002/aenm.201500968
Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., and Gregoire, John M. Wed .
"High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System". United States. https://doi.org/10.1002/aenm.201500968. https://www.osti.gov/servlets/purl/1334191.
@article{osti_1334191,
title = {High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System},
author = {Zhou, Lan and Yan, Qimin and Shinde, Aniketa and Guevarra, Dan and Newhouse, Paul F. and Becerra-Stasiewicz, Natalie and Chatman, Shawn M. and Haber, Joel A. and Neaton, Jeffrey B. and Gregoire, John M.},
abstractNote = {Solar photoelectrochemical generation of fuel is a promising energy technology yet the lack of an efficient, robust photoanode remains a primary materials challenge in the development and deployment of solar fuels generators. Metal oxides comprise the most promising class of photoanode materials, but no known material meets the demanding requirements of low band gap energy, photoelectrocatalysis of the oxygen evolution reaction, and stability under highly oxidizing conditions. Here, we report the identification of new photoelectroactive materials through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. We identify 4 photoelectrocatalyst phases - α-Cu2V2O7, β-Cu2V2O7, γ-Cu3V2O8, and Cu11V6O26 - with band gap energy at or below 2 eV. The photoelectrochemical properties and 30-minute stability of these copper vanadate phases are demonstrated in 3 different aqueous electrolytes (pH 7, pH 9, and pH 13), with select combinations of phase and electrolyte exhibiting unprecedented photoelectrocatalytic stability for metal oxides with sub-2 eV band gap. Through integration of experimental and theoretical techniques, we determine new structure-property relationships and establish CuO-V2O5 as the most prominent composition system for OER photoelectrocatalysts, providing crucial information for materials genomes initiatives and paving the way for continued development of solar fuels photoanodes.},
doi = {10.1002/aenm.201500968},
journal = {Advanced Energy Materials},
number = 22,
volume = 5,
place = {United States},
year = {Wed Aug 26 00:00:00 EDT 2015},
month = {Wed Aug 26 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
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
An analysis of the optimal band gaps of light absorbers in integrated tandem photoelectrochemical water-splitting systems
journal, January 2013
- Hu, Shu; Xiang, Chengxiang; Haussener, Sophia
- Energy & Environmental Science, Vol. 6, Issue 10
Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems
journal, January 2012
- Haussener, Sophia; Xiang, Chengxiang; Spurgeon, Joshua M.
- Energy & Environmental Science, Vol. 5, Issue 12
Inorganic Materials as Catalysts for Photochemical Splitting of Water
journal, January 2008
- Osterloh, Frank E.
- Chemistry of Materials, Vol. 20, Issue 1
Visible-light driven heterojunction photocatalysts for water splitting – a critical review
journal, January 2015
- Moniz, Savio J. A.; Shevlin, Stephen A.; Martin, David James
- Energy & Environmental Science, Vol. 8, Issue 3
Progress in bismuth vanadate photoanodes for use in solar water oxidation
journal, January 2013
- Park, Yiseul; McDonald, Kenneth J.; Choi, Kyoung-Shin
- Chem. Soc. Rev., Vol. 42, Issue 6, p. 2321-2337
Nanostructured bismuth vanadate-based materials for solar-energy-driven water oxidation: a review on recent progress
journal, January 2014
- Huang, Zhen-Feng; Pan, Lun; Zou, Ji-Jun
- Nanoscale, Vol. 6, Issue 23
Indirect Bandgap and Optical Properties of Monoclinic Bismuth Vanadate
journal, January 2015
- Cooper, Jason K.; Gul, Sheraz; Toma, Francesca M.
- The Journal of Physical Chemistry C, Vol. 119, Issue 6
Mn 2 V 2 O 7 : An Earth Abundant Light Absorber for Solar Water Splitting
journal, January 2015
- Yan, Qimin; Li, Guo; Newhouse, Paul F.
- Advanced Energy Materials, Vol. 5, Issue 8
TiO2/Cu2O all-oxide heterojunction solar cells produced by spray pyrolysis
journal, January 2015
- Pavan, Michele; Rühle, Sven; Ginsburg, Adam
- Solar Energy Materials and Solar Cells, Vol. 132
Mcbirneyite, Cu3(VO4)2, a new sublimate mineral from the fumaroles of Izalco volcano, El Salvador
journal, August 1987
- Hughes, John M.; Christian, Barbara S.; Finger, Larry W.
- Journal of Volcanology and Geothermal Research, Vol. 33, Issue 1-3
Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia [Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia]
journal, July 2011
- Zelenski, Michael E.; Zubkova, Natalia V.; Pekov, Igor V.
- European Journal of Mineralogy, Vol. 23, Issue 3
Copper vanadates as candidate materials for phase change optical memory
journal, March 1992
- Birnie, D. P.; Weinberg, J. D.; Swanson, D. G.
- Journal of Materials Research, Vol. 7, Issue 3
Molten copper hexaoxodivanadate: an efficient catalyst for SO3 decomposition in solar thermochemical water splitting cycles
journal, January 2014
- Kawada, Takahiro; Tajiri, Tonami; Yamashita, Hiroaki
- Catalysis Science & Technology, Vol. 4, Issue 3
Efficient catalytic decomposition of sulfuric acid with copper vanadates as an oxygen-generating reaction for solar thermochemical water splitting cycles
journal, January 2011
- Machida, Masato; Miyazaki, Yui; Matsunaga, Yuichi
- Chemical Communications, Vol. 47, Issue 34
Structure and SO3 decomposition activity of nCuO–V2O5/SiO2 (n= 0, 1, 2, 3 and 5) catalysts for solar thermochemical water splitting cycles
journal, March 2015
- Kawada, Takahiro; Hinokuma, Satoshi; Machida, Masato
- Catalysis Today, Vol. 242
Cu3V2O8 hollow spheres in photocatalysis and primary lithium batteries
journal, November 2013
- Zhang, Shaoyan; Sun, Yan; Li, Chunsheng
- Solid State Sciences, Vol. 25
Copper vanadate as promising high voltage cathodes for Li thermal batteries
journal, May 2013
- Hillel, Tomer; Ein-Eli, Yair
- Journal of Power Sources, Vol. 229
Thermoanalytical study of the polymorphism and melting behavior of Cu2V2O7
journal, February 2010
- Slobodin, B. V.; Samigullina, R. F.
- Inorganic Materials, Vol. 46, Issue 2
Formation and properties of copper(II) divanadate(V)
journal, January 1978
- Clark, G. M.; Garlick, R.
- Journal of Inorganic and Nuclear Chemistry, Vol. 40, Issue 7
Crystal Structure of a New Form of Cu 3 V 2 O 8
journal, December 1972
- Shannon, Robert D.; Calvo, Crispin
- Canadian Journal of Chemistry, Vol. 50, Issue 24
Structure de la variété ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu 3 (VO 4 ) 2
journal, May 1982
- Coing-Boyat, J.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 38, Issue 5
Phase transitions in copper(II) orthovanadate
journal, August 1993
- Suresh Rao, N.; Palanna, O. G.
- Bulletin of Materials Science, Vol. 16, Issue 4
All First Row Transition Metal Oxide Photoanode for Water Splitting Based on Cu 3 V 2 O 8
journal, January 2015
- Seabold, Jason A.; Neale, Nathan R.
- Chemistry of Materials, Vol. 27, Issue 3
From holes to sponge at irradiated Ge surfaces with increasing ion energy—an effect of defect kinetics?
journal, August 2013
- Böttger, Roman; Heinig, Karl-Heinz; Bischoff, Lothar
- Applied Physics A, Vol. 113, Issue 1
Combinatorial solid-state chemistry of inorganic materials
journal, July 2004
- Koinuma, Hideomi; Takeuchi, Ichiro
- Nature Materials, Vol. 3, Issue 7
Combinatorial approaches as effective tools in the study of phase diagrams and composition–structure–property relationships
journal, July 2006
- Zhao, J.
- Progress in Materials Science, Vol. 51, Issue 5
High throughput combinatorial screening of semiconductor materials
journal, September 2011
- Mao, Samuel S.
- Applied Physics A, Vol. 105, Issue 2
A review of high throughput and combinatorial electrochemistry
journal, November 2011
- Muster, T. H.; Trinchi, A.; Markley, T. A.
- Electrochimica Acta, Vol. 56, Issue 27
Combinatorial approaches for the identification and optimization of oxide semiconductors for efficient solar photoelectrolysis
journal, January 2009
- Woodhouse, Michael; Parkinson, B. A.
- Chem. Soc. Rev., Vol. 38, Issue 1
Combinatorial synthesis and high-throughput photopotential and photocurrent screening of mixed-metal oxides for photoelectrochemical water splitting
journal, January 2009
- Katz, Jordan E.; Gingrich, Todd R.; Santori, Elizabeth A.
- Energy Environ. Sci., Vol. 2, Issue 1
Screening of transition and post-transition metals to incorporate into copper oxide and copper bismuth oxide for photoelectrochemical hydrogen evolution
journal, January 2013
- Berglund, Sean P.; Lee, Heung Chan; Núñez, Paul D.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 13
Ionic Conductivity of Nanostructured Block Copolymer/Ionic Liquid Membranes
journal, July 2011
- Hoarfrost, Megan L.; Segalman, Rachel A.
- Macromolecules, Vol. 44, Issue 13
Rapid Screening of Effective Dopants for Fe 2 O 3 Photocatalysts with Scanning Electrochemical Microscopy and Investigation of Their Photoelectrochemical Properties
journal, March 2009
- Jang, Jum Suk; Lee, Joowook; Ye, Heechang
- The Journal of Physical Chemistry C, Vol. 113, Issue 16
Automated Electrochemical Synthesis and Photoelectrochemical Characterization of Zn 1 - x Co x O Thin Films for Solar Hydrogen Production
journal, March 2005
- Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan
- Journal of Combinatorial Chemistry, Vol. 7, Issue 2
Combinatorial Electrochemical Synthesis and Screening of Mesoporous ZnO for Photocatalysis
journal, January 2004
- Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan
- Macromolecular Rapid Communications, Vol. 25, Issue 1
Combinatorial Approach to Improve Photoelectrodes Based on BiVO 4
journal, November 2013
- Jiang, Chunping; Wang, Ruilin; Parkinson, B. A.
- ACS Combinatorial Science, Vol. 15, Issue 12
Screening of Photocatalysts by Scanning Electrochemical Microscopy
journal, October 2008
- Lee, Joowook; Ye, Heechang; Pan, Shanlin
- Analytical Chemistry, Vol. 80, Issue 19
Rapid Preparation and Photoelectrochemical Screening of CuInSe 2 and CuInMSe 2 Arrays by Scanning Electrochemical Microscopy
journal, September 2010
- Liu, Guanjie; Bard, Allen J.
- The Journal of Physical Chemistry C, Vol. 114, Issue 41
Combinatorial Approach to Identification of Catalysts for the Photoelectrolysis of Water
journal, August 2005
- Woodhouse, Michael; Herman, G. S.; Parkinson, B. A.
- Chemistry of Materials, Vol. 17, Issue 17
Combinatorial Discovery and Optimization of a Complex Oxide with Water Photoelectrolysis Activity
journal, April 2008
- Woodhouse, Michael; Parkinson, B. A.
- Chemistry of Materials, Vol. 20, Issue 7
Rapid Screening of BiVO 4 -Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties
journal, July 2010
- Ye, Heechang; Lee, Joowook; Jang, Jum Suk
- The Journal of Physical Chemistry C, Vol. 114, Issue 31
Improved Fuel Cell Oxidation Catalysis in Pt 1− x Ta x †
journal, February 2010
- Gregoire, John M.; Tague, Michele E.; Cahen, Sophie
- Chemistry of Materials, Vol. 22, Issue 3
Combinatorial thin film composition mapping using three dimensional deposition profiles
journal, March 2015
- Suram, Santosh K.; Zhou, Lan; Becerra-Stasiewicz, Natalie
- Review of Scientific Instruments, Vol. 86, Issue 3
Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements
journal, February 2013
- Gregoire, John M.; Xiang, Chengxiang; Liu, Xiaonao
- Review of Scientific Instruments, Vol. 84, Issue 2
Cobalt–phosphate complexes catalyze the photoelectrochemical water oxidation of BiVO4 electrodes
journal, January 2011
- Jeon, Tae Hwa; Choi, Wonyong; Park, Hyunwong
- Physical Chemistry Chemical Physics, Vol. 13, Issue 48
Cobalt-phosphate (Co-Pi) catalyst modified Mo-doped BiVO4 photoelectrodes for solar water oxidation
journal, January 2011
- Pilli, Satyananda Kishore; Furtak, Thomas E.; Brown, Logan D.
- Energy & Environmental Science, Vol. 4, Issue 12
Incorporation of Mo and W into nanostructured BiVO4 films for efficient photoelectrochemical water oxidation
journal, January 2012
- Berglund, Sean P.; Rettie, Alexander J. E.; Hoang, Son
- Physical Chemistry Chemical Physics, Vol. 14, Issue 19
Effect of Carbonate Ions on the Photooxidation of Water over Porous BiVO 4 Film Photoelectrode under Visible Light
journal, January 2010
- Sayama, Kazuhiro; Wang, Nini; Miseki, Yugo
- Chemistry Letters, Vol. 39, Issue 1
The Jahn-Teller effect and magnetism: transition metal compounds
journal, April 1982
- Kugel', Kliment I.; Khomskiĭ, D. I.
- Soviet Physics Uspekhi, Vol. 25, Issue 4
: A spin- honeycomb lattice system
journal, October 2010
- Tsirlin, Alexander A.; Janson, Oleg; Rosner, Helge
- Physical Review B, Vol. 82, Issue 14
Structure cristalline de la variété basse température du pyrovanadate de cuivre: Cu 2 V 2 O 7 α
journal, December 1973
- Mercurio-Lavaud, D.; Frit, B.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 12
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013
- Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
- APL Materials, Vol. 1, Issue 1
High-throughput on-the-fly scanning ultraviolet-visible dual-sphere spectrometer
journal, January 2015
- Mitrovic, Slobodan; Cornell, Earl W.; Marcin, Martin R.
- Review of Scientific Instruments, Vol. 86, Issue 1
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
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
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
Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991
- Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
- Physical Review B, Vol. 44, Issue 3, p. 943-954
Electronic structure and magnetic properties of monoclinic : A study
journal, March 2009
- Yashima, Masatomo; Suzuki, Ryosuke O.
- Physical Review B, Vol. 79, Issue 12
Oxidation energies of transition metal oxides within the framework
journal, May 2006
- Wang, Lei; Maxisch, Thomas; Ceder, Gerbrand
- Physical Review B, Vol. 73, Issue 19
Works referencing / citing this record:
Tracking materials science data lineage to manage millions of materials experiments and analyses
journal, July 2019
- Soedarmadji, Edwin; Stein, Helge S.; Suram, Santosh K.
- npj Computational Materials, Vol. 5, Issue 1
Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation
journal, January 2016
- Zhou, Lan; Yan, Qimin; Yu, Jie
- Physical Chemistry Chemical Physics, Vol. 18, Issue 14
Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes
journal, January 2018
- Suram, Santosh K.; Zhou, Lan; Shinde, Aniketa
- Chemical Communications, Vol. 54, Issue 36
Activation of Kagome lattice-structured Cu 3 V 2 O 7 (OH) 2 ·2H 2 O volborthite via hydrothermal crystallization for boosting visible light-driven water oxidation
journal, January 2018
- Wang, Ping; Yang, Hengyan; Wang, Ding
- Physical Chemistry Chemical Physics, Vol. 20, Issue 38
A simple chemical solution synthesis of nanowire-assembled hierarchical CuO microspheres with enhanced photochemical properties
journal, January 2018
- Li, Li; Zhang, Yongxing; Li, Jia
- Dalton Transactions, Vol. 47, Issue 42
Assembly of β-Cu 2 V 2 O 7 /WO 3 heterostructured nanocomposites and the impact of their composition on structure and photoelectrochemical properties
journal, January 2018
- Scarongella, Mariateresa; Gadiyar, Chethana; Strach, Michal
- Journal of Materials Chemistry C, Vol. 6, Issue 44
Deep eutectic solvent route synthesis of zinc and copper vanadate n-type semiconductors – mapping oxygen vacancies and their effect on photovoltage
journal, January 2019
- Hong, Sangki; Doughty, Rachel M.; Osterloh, Frank E.
- Journal of Materials Chemistry A, Vol. 7, Issue 19
The synergistic effect of cation mixing in mesoporous Bi x Fe 1−x VO 4 heterojunction photoanodes for solar water splitting
journal, January 2019
- Zhang, Mengyuan; Pham, Huu Khue; Fang, Yanan
- Journal of Materials Chemistry A, Vol. 7, Issue 24
Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment
journal, March 2017
- Yan, Qimin; Yu, Jie; Suram, Santosh K.
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 12
Recent developments in complex metal oxide photoelectrodes
journal, April 2017
- Abdi, Fatwa F.; Berglund, Sean P.
- Journal of Physics D: Applied Physics, Vol. 50, Issue 19
Data-driven material discovery for photocatalysis: a short review
journal, July 2018
- Pan, Jinbo; Yan, Qimin
- Journal of Semiconductors, Vol. 39, Issue 7
Review—Copper Oxide-Based Ternary and Quaternary Oxides: Where Solid-State Chemistry Meets Photoelectrochemistry
journal, January 2018
- Rajeshwar, Krishnan; Hossain, Mohammad Kabir; Macaluso, Robin T.
- Journal of The Electrochemical Society, Vol. 165, Issue 4