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Title: The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes

Journal Article · · Journal of Materials Chemistry. A
DOI:https://doi.org/10.1039/c6ta04746g· OSTI ID:1333884
 [1];  [2];  [1];  [1];  [1];  [3];  [4];  [1];  [5];  [1]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP) and Chemical Sciences Division
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis (JCAP) and Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics and Kavli Energy NanoSciences Inst.

Combining high throughput experiments withab initiocalculations accelerates the understanding and optimization of interfaces for solar fuels and beyond.

Research Organization:
California Institute of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0004993; AC02-05CH11231
OSTI ID:
1333884
Alternate ID(s):
OSTI ID: 1454446
Journal Information:
Journal of Materials Chemistry. A, Vol. 4, Issue 37; ISSN 2050-7488
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

References (44)

Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems journal July 2013
Cobalt–phosphate complexes catalyze the photoelectrochemical water oxidation of BiVO4 electrodes journal January 2011
Generalized Gradient Approximation Made Simple journal October 1996
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal February 1997
Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes journal July 2016
Projector augmented-wave method journal December 1994
Discovery of Fe–Ce Oxide/BiVO 4 Photoanodes through Combinatorial Exploration of Ni–Fe–Co–Ce Oxide Coatings journal August 2016
Recent developments in solar water-splitting photocatalysis journal January 2011
Combinatorial thin film composition mapping using three dimensional deposition profiles journal March 2015
Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design journal February 2015
An Optocatalytic Model for Semiconductor–Catalyst Water-Splitting Photoelectrodes Based on In Situ Optical Measurements on Operational Catalysts journal March 2013
Efficient solar photoelectrolysis by nanoporous Mo:BiVO 4 through controlled electron transport journal January 2014
Semiconducting materials for photoelectrochemical energy conversion journal January 2016
Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO 4 journal January 2016
Methods for comparing the performance of energy-conversion systems for use in solar fuels and solar electricity generation journal January 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier journal April 2015
Periodic boundary conditions in ab initio calculations journal February 1995
Oxygen Vacancy: The Invisible Agent on Oxide Surfaces journal October 2003
Enhancing the Photocatalytic Activity of BiVO 4 for Oxygen Evolution by Ce Doping: Ce 3+ Ions as Hole Traps journal January 2016
Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode journal July 2013
Band theory and Mott insulators: Hubbard U instead of Stoner I journal July 1991
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal August 1995
The Structures of C–Ce2O3+δ, Ce7O12, and Ce11O20 journal November 1999
Crystal growth and structure of BiVO4 journal December 1979
Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction journal October 2013
Interfacial band-edge energetics for solar fuels production journal January 2015
Nanoporous BiVO4 Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting journal February 2014
Marked enhancement in electron–hole separation achieved in the low bias region using electrochemically prepared Mo-doped BiVO 4 photoanodes journal January 2014
Discovery of Overcoating Metal Oxides on Photoelectrode for Water Splitting by Automated Screening journal September 2015
Photoelectrochemical decomposition of water on nanocrystalline BiVO4 film electrodes under visible light journal January 2003
Efficient and Stable Photo-Oxidation of Water by a Bismuth Vanadate Photoanode Coupled with an Iron Oxyhydroxide Oxygen Evolution Catalyst journal January 2012
Solar Water Splitting Cells journal November 2010
Ab initiomolecular dynamics for liquid metals journal January 1993
Evidence of Coulomb correction and spin–orbit coupling in rare-earth dioxides CeO2, PrO2 and TbO2: An ab initio study journal April 2012
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) journal December 1992
Surface modification of semiconductor photoelectrodes journal January 2015
Screening of Electrocatalysts for Photoelectrochemical Water Oxidation on W-Doped BiVO 4 Photocatalysts by Scanning Electrochemical Microscopy journal June 2011
Electronic Structure of Monoclinic BiVO 4 journal September 2014
The nature of photogenerated charge separation among different crystal facets of BiVO 4 studied by density functional theory journal January 2015
Mo-Doped BiVO 4 Photoanodes Synthesized by Reactive Sputtering journal February 2015
Solar hydrogen generation from seawater with a modified BiVO4 photoanode journal January 2011
Indirect Bandgap and Optical Properties of Monoclinic Bismuth Vanadate journal January 2015

Cited By (5)

The Role of Underlayers and Overlayers in Thin Film BiVO 4 Photoanodes for Solar Water Splitting journal May 2019
Design and Fabrication of a Precious Metal-Free Tandem Core-Shell p + n Si/W-Doped BiVO 4 Photoanode for Unassisted Water Splitting journal August 2017
Interface engineering for light-driven water oxidation: unravelling the passivating and catalytic mechanism in BiVO 4 overlayers journal January 2019
Insights into the mechanism of the enhanced visible-light photocatalytic activity of black phosphorus/BiVO 4 heterostructure: a first-principles study journal January 2018
The application of CeO 2 -based materials in electrocatalysis journal January 2019