Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films

Tian, C. M.; Li, W. -W.; Lin, Y. M.; Yang, Z. Z.; Wang, L.; Du, Y. G.; Xiao, H. Y.; Qiao, L.; Zhang, J. Y.; Chen, L.; Qi, Dong-Chen; MacManus-Driscoll, J. L.; Zhang, K. L.

doi:10.1021/acs.jpcc.0c02875

Title: Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe₂O₃ Thin Films

Abstract

Hematite (Fe₂O₃) is a well-known oxide semiconductor suitable for photoelectrochemical (PEC) water splitting and industry gas sensing. It is widely known that Sn doping of Fe₂O₃ can enhance the device performance, yet the underlying mechanism remains elusive. In this work, we determine the relationship between electronic structure, optical properties and PEC activity of Sn doped Fe₂O₃ by studying highly crystalline, well-controlled thin films prepared by pulsed laser deposition (PLD). We show that Sn doping substantially increases the n-type conductivity of Fe₂O₃, and the conduction mechanism is better described by small-polaron hoping (SPH) model. Only 0.2% Sn doping significantly reduce the activation energy barrier for SPH conduction from at least 0.5 eV for undoped Fe₂O₃ to 0.14 eV for doped ones. A combination of X-ray photoemission, X-ray absorption spectroscopy and DFT calculations reveals the Fermi level gradually shifts toward the conduction band minimum with Sn doping. A localized Fe²⁺like gap state is observed at the top of valence band, accounting for the SPH conduction. Interestingly, in contrast to the literature, we find that only 0.2% Sn doping in Fe₂O₃ significantly improves the PEC activity, while more Sn decreases it. The improved PEC activity is partially attributed to an increased band bendingmore »« less

Authors:

Tian, C. M. ^[1];

^[2]; Lin, Y. M. ^[1]; Yang, Z. Z. ^[3];

^[3];

^[3]; Xiao, H. Y. ^[4];

^[4]; Zhang, J. Y. ^[5]; Chen, L. ^[6]; Qi, Dong-Chen ^[7]; MacManus-Driscoll, J. L. ^[2];

^[8]

Xiamen Univ. (China)
Univ. of Cambridge (United Kingdom)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. of Electronic Science and Technology of China, Chengdu (China)
Xiamen Univ. (China); Southern Univ. of Science and Technology, Guangdong (China)
Southern Univ. of Science and Technology, Shenzhen (China)
Queensland Univ. of Technology, Brisbane, QLD (Australia)
Xiamen Univ. (China); Univ. of Cambridge (United Kingdom)

Publication Date:: Tue May 12 00:00:00 EDT 2020

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1650658

Report Number(s):: PNNL-SA-151625
Journal ID: ISSN 1932-7447

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physical Chemistry. C

Additional Journal Information:: Journal Volume: 124; Journal Issue: 23; Journal ID: ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Photoelectrochemical water splitting; Oxide semiconducter; Electronic Structure; Doping; Photoemission Spectroscopy

Citation Formats


                    Tian, C. M., Li, W. -W., Lin, Y. M., Yang, Z. Z., Wang, L., Du, Y. G., Xiao, H. Y., Qiao, L., Zhang, J. Y., Chen, L., Qi, Dong-Chen, MacManus-Driscoll, J. L., and Zhang, K. L. Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films.  United States: N. p., 2020. 
Web.  doi:10.1021/acs.jpcc.0c02875.

Copy to clipboard


                    Tian, C. M., Li, W. -W., Lin, Y. M., Yang, Z. Z., Wang, L., Du, Y. G., Xiao, H. Y., Qiao, L., Zhang, J. Y., Chen, L., Qi, Dong-Chen, MacManus-Driscoll, J. L., & Zhang, K. L. Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films.  United States.  https://doi.org/10.1021/acs.jpcc.0c02875

Copy to clipboard


                    Tian, C. M., Li, W. -W., Lin, Y. M., Yang, Z. Z., Wang, L., Du, Y. G., Xiao, H. Y., Qiao, L., Zhang, J. Y., Chen, L., Qi, Dong-Chen, MacManus-Driscoll, J. L., and Zhang, K. L. Tue .  
"Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films".  United States.  https://doi.org/10.1021/acs.jpcc.0c02875.  https://www.osti.gov/servlets/purl/1650658.

Copy to clipboard


                    
@article{osti_1650658,

  title        = {Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films},

  author       = {Tian, C. M. and Li, W. -W. and Lin, Y. M. and Yang, Z. Z. and Wang, L. and Du, Y. G. and Xiao, H. Y. and Qiao, L. and Zhang, J. Y. and Chen, L. and Qi, Dong-Chen and MacManus-Driscoll, J. L. and Zhang, K. L.},

  abstractNote = {Hematite (Fe2O3) is a well-known oxide semiconductor suitable for photoelectrochemical (PEC) water splitting and industry gas sensing. It is widely known that Sn doping of Fe2O3 can enhance the device performance, yet the underlying mechanism remains elusive. In this work, we determine the relationship between electronic structure, optical properties and PEC activity of Sn doped Fe2O3 by studying highly crystalline, well-controlled thin films prepared by pulsed laser deposition (PLD). We show that Sn doping substantially increases the n-type conductivity of Fe2O3, and the conduction mechanism is better described by small-polaron hoping (SPH) model. Only 0.2% Sn doping significantly reduce the activation energy barrier for SPH conduction from at least 0.5 eV for undoped Fe2O3 to 0.14 eV for doped ones. A combination of X-ray photoemission, X-ray absorption spectroscopy and DFT calculations reveals the Fermi level gradually shifts toward the conduction band minimum with Sn doping. A localized Fe2+like gap state is observed at the top of valence band, accounting for the SPH conduction. Interestingly, in contrast to the literature, we find that only 0.2% Sn doping in Fe2O3 significantly improves the PEC activity, while more Sn decreases it. The improved PEC activity is partially attributed to an increased band bending potential which facilitates the charge separation at space charge region. The reduced activation energy barrier for SPH will facilitate the transport of photo-excited carriers for the enhanced PEC, which is of interest for further carrier dynamics study.},

  doi          = {10.1021/acs.jpcc.0c02875},

  journal      = {Journal of Physical Chemistry. C},

  number       = 23,

  volume       = 124,

  place        = {United States},

  year         = {Tue May 12 00:00:00 EDT 2020},

  month        = {Tue May 12 00:00:00 EDT 2020}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1021/acs.jpcc.0c02875

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 37 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

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
DOI: 10.1021/cr1002326

Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes
journal, March 2011

Sivula, Kevin; Le Formal, Florian; Grätzel, Michael
ChemSusChem, Vol. 4, Issue 4
DOI: 10.1002/cssc.201000416

Hematite nanorods Co-doped with Ru cations with different valence states as high performance photoanodes for water splitting
journal, September 2015

Guo, Xueli; Wang, Lili; Tan, Yiwei
Nano Energy, Vol. 16
DOI: 10.1016/j.nanoen.2015.07.005

Kinetics of oxygen evolution at α-Fe2O3 photoanodes: a study by photoelectrochemical impedance spectroscopy
journal, January 2011

Upul Wijayantha, K. G.; Saremi-Yarahmadi, Sina; Peter, Laurence M.
Physical Chemistry Chemical Physics, Vol. 13, Issue 12
DOI: 10.1039/c0cp02408b

Dynamics of photogenerated holes in nanocrystalline α-Fe ₂ O ₃ electrodes for water oxidation probed by transient absorption spectroscopy
journal, January 2011

Pendlebury, Stephanie R.; Barroso, Monica; Cowan, Alexander J.
Chem. Commun., Vol. 47, Issue 2
DOI: 10.1039/C0CC03627G

Identifying champion nanostructures for solar water-splitting
journal, July 2013

Warren, Scott C.; Voïtchovsky, Kislon; Dotan, Hen
Nature Materials, Vol. 12, Issue 9
DOI: 10.1038/nmat3684

Dendritic Hematite Nanoarray Photoanode Modified with a Conformal Titanium Dioxide Interlayer for Effective Charge Collection
journal, August 2017

Luo, Zhibin; Wang, Tuo; Zhang, Jijie
Angewandte Chemie International Edition, Vol. 56, Issue 42
DOI: 10.1002/anie.201705772

Epitaxial growth and band alignment of p-NiO/n-Fe2O3 heterojunction on Al2O3(0 0 0 1)
journal, January 2019

Qin, Y. X.; Yang, Z. Z.; Wang, J. J.
Applied Surface Science, Vol. 464
DOI: 10.1016/j.apsusc.2018.09.106

Enhanced Photoelectrochemical Water Oxidation on Nanostructured Hematite Photoanodes via p-CaFe ₂ O ₄ /n-Fe ₂ O ₃ Heterojunction Formation
journal, March 2015

Ahmed, Mahmoud G.; Kandiel, Tarek A.; Ahmed, Amira Y.
The Journal of Physical Chemistry C, Vol. 119, Issue 11
DOI: 10.1021/jp512804p

Photoelectrochemical and Impedance Spectroscopic Investigation of Water Oxidation with “Co–Pi”-Coated Hematite Electrodes
journal, September 2012

Klahr, Benjamin; Gimenez, Sixto; Fabregat-Santiago, Francisco
Journal of the American Chemical Society, Vol. 134, Issue 40
DOI: 10.1021/ja306427f

Light-Induced Water Splitting with Hematite: Improved Nanostructure and Iridium Oxide Catalysis
journal, July 2010

Tilley, S. David; Cornuz, Maurin; Sivula, Kevin
Angewandte Chemie International Edition, Vol. 49, Issue 36
DOI: 10.1002/anie.201003110

Microscopic Origin of Electron Accumulation in ${In}_{2} O_{3}$
journal, January 2013

Zhang, K. H. L.; Egdell, R. G.; Offi, F.
Physical Review Letters, Vol. 110, Issue 5
DOI: 10.1103/PhysRevLett.110.056803

P -type transparent conducting oxides
journal, July 2016

Zhang, Kelvin H. L.; Xi, Kai; Blamire, Mark G.
Journal of Physics: Condensed Matter, Vol. 28, Issue 38
DOI: 10.1088/0953-8984/28/38/383002

Hole-induced insulator-to-metal transition in $L a_{1 - x} S r_{x} Cr O_{3}$ epitaxial films
journal, April 2015

Zhang, K. H. L.; Du, Y.; Sushko, P. V.
Physical Review B, Vol. 91, Issue 15
DOI: 10.1103/PhysRevB.91.155129

Growth of p-Type Hematite by Atomic Layer Deposition and Its Utilization for Improved Solar Water Splitting
journal, March 2012

Lin, Yongjing; Xu, Yang; Mayer, Matthew T.
Journal of the American Chemical Society, Vol. 134, Issue 12
DOI: 10.1021/ja300319g

Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti-Doped Hematite Nanostructures
journal, April 2014

Mirbagheri, Naghmehalsadat; Wang, Degao; Peng, Cheng
ACS Catalysis, Vol. 4, Issue 6
DOI: 10.1021/cs500372v

Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations
journal, March 2011

Meng, X. Y.; Qin, G. W.; Li, S.
Applied Physics Letters, Vol. 98, Issue 11
DOI: 10.1063/1.3567766

Electrical transport properties of Ti-doped Fe $_{2}$ $O_{3}$ (0001) epitaxial films
journal, December 2011

Zhao, B.; Kaspar, T. C.; Droubay, T. C.
Physical Review B, Vol. 84, Issue 24
DOI: 10.1103/PhysRevB.84.245325

Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting
journal, May 2011

Ling, Yichuan; Wang, Gongming; Wheeler, Damon A.
Nano Letters, Vol. 11, Issue 5
DOI: 10.1021/nl200708y

Solid solubility of Ge, Si, and Mg in Fe2O3 and photoelectric behavior
journal, January 1982

Sanchez, H. L.; Steinfink, H.; White, H. S.
Journal of Solid State Chemistry, Vol. 41, Issue 1
DOI: 10.1016/0022-4596(82)90038-X

Review of Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting
journal, July 2014

Ling, Yichuan; Li, Yat
Particle & Particle Systems Characterization, Vol. 31, Issue 11
DOI: 10.1002/ppsc.201400051

Improvement of Hematite as Photocatalyst by Doping with Tantalum
journal, April 2014

Zhang, Xinsheng; Li, Huicheng; Wang, Shijun
The Journal of Physical Chemistry C, Vol. 118, Issue 30
DOI: 10.1021/jp500395a

Photoelectrochemical Water Splitting with Mesoporous Hematite Prepared by a Solution-Based Colloidal Approach
journal, June 2010

Sivula, Kevin; Zboril, Radek; Le Formal, Florian
Journal of the American Chemical Society, Vol. 132, Issue 21
DOI: 10.1021/ja101564f

Photoelectrochemical Properties of Fe ₂ O ₃ −SnO ₂ Films Prepared by Sol−Gel Method
journal, March 2011

Uchiyama, Hiroaki; Yukizawa, Masashi; Kozuka, Hiromitsu
The Journal of Physical Chemistry C, Vol. 115, Issue 14
DOI: 10.1021/jp112279k

Influence of annealing temperature and Sn doping on the optical properties of hematite thin films determined by spectroscopic ellipsometry
journal, June 2016

de Souza, Lígia P.; Chaves, Rodrigo O. G.; Malachias, Angelo
Journal of Applied Physics, Vol. 119, Issue 24
DOI: 10.1063/1.4954315

Enhancement of Photoelectrochemical Hydrogen Production from Hematite Thin Films by the Introduction of Ti and Si
journal, November 2007

Glasscock, Julie A.; Barnes, Piers R. F.; Plumb, Ian C.
The Journal of Physical Chemistry C, Vol. 111, Issue 44
DOI: 10.1021/jp074556l

Titanium incorporation into hematite photoelectrodes: theoretical considerations and experimental observations
journal, January 2014

Kronawitter, C. X.; Zegkinoglou, I.; Shen, S. -H.
Energy Environ. Sci., Vol. 7, Issue 10
DOI: 10.1039/C4EE01066C

Copper(I)-Based p -Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion
journal, August 2016

Sullivan, Ian; Zoellner, Brandon; Maggard, Paul A.
Chemistry of Materials, Vol. 28, Issue 17
DOI: 10.1021/acs.chemmater.6b00926

On the Interfacial Electronic Structure Origin of Efficiency Enhancement in Hematite Photoanodes
journal, October 2012

Kronawitter, C. X.; Zegkinoglou, I.; Rogero, C.
The Journal of Physical Chemistry C, Vol. 116, Issue 43
DOI: 10.1021/jp308918e

Tin doping speeds up hole transfer during light-driven water oxidation at hematite photoanodes
journal, January 2014

Dunn, Halina K.; Feckl, Johann M.; Müller, Alexander
Phys. Chem. Chem. Phys., Vol. 16, Issue 44
DOI: 10.1039/C4CP03946G

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States
journal, February 2012

Klahr, Benjamin; Gimenez, Sixto; Fabregat-Santiago, Francisco
Journal of the American Chemical Society, Vol. 134, Issue 9
DOI: 10.1021/ja210755h

Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping
journal, February 2013

Meng, Xiangying; Qin, Gaowu; Goddard, William A.
The Journal of Physical Chemistry C, Vol. 117, Issue 8
DOI: 10.1021/jp310740h

Hybrid density functional theory band structure engineering in hematite
journal, June 2011

Pozun, Zachary D.; Henkelman, Graeme
The Journal of Chemical Physics, Vol. 134, Issue 22
DOI: 10.1063/1.3598947

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
DOI: 10.1103/PhysRevB.54.11169

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
DOI: 10.1103/PhysRevB.59.1758

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
DOI: 10.1103/PhysRevLett.77.3865

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
Physical Review B, Vol. 57, Issue 3, p. 1505-1509
DOI: 10.1103/PhysRevB.57.1505

Mechanical alloying of an immiscible α- ${Fe}_{2}$ $O_{3}$ - ${SnO}_{2}$ ceramic
journal, January 1997

Jiang, J. Z.; Lin, R.; Mørup, S.
Physical Review B, Vol. 55, Issue 1
DOI: 10.1103/PhysRevB.55.11

The effect of Fe ²⁺ state in electrical property variations of Sn-doped hematite powders
journal, May 2017

Song, Sehwan; Kim, Jiwoong; Lee, Dooyong
Journal of the American Ceramic Society, Vol. 100, Issue 9
DOI: 10.1111/jace.14908

Enhanced photoanode properties of epitaxial Ti doped α-Fe ₂ O ₃ (0001) thin films
journal, September 2012

Magnan, H.; Stanescu, D.; Rioult, M.
Applied Physics Letters, Vol. 101, Issue 13
DOI: 10.1063/1.4755763

Effect of Orientation on Bulk and Surface Properties of Sn-doped Hematite (α-Fe ₂ O ₃ ) Heteroepitaxial Thin Film Photoanodes
journal, December 2016

Grave, Daniel A.; Klotz, Dino; Kay, Asaf
The Journal of Physical Chemistry C, Vol. 120, Issue 51
DOI: 10.1021/acs.jpcc.6b10033

The Crystal Structures of Hematite and Corundum
journal, March 1925

Pauling, Linus; Hendricks, Sterling B.
Journal of the American Chemical Society, Vol. 47, Issue 3
DOI: 10.1021/ja01680a027

Domain epitaxy: A unified paradigm for thin film growth
journal, January 2003

Narayan, J.; Larson, B. C.
Journal of Applied Physics, Vol. 93, Issue 1
DOI: 10.1063/1.1528301

Domain Matching Epitaxial Growth of In ₂ O ₃ Thin Films on α-Al ₂ O ₃ (0001)
journal, January 2012

Zhang, K. H. L.; Lazarov, V. K.; Galindo, P. L.
Crystal Growth & Design, Vol. 12, Issue 2
DOI: 10.1021/cg201474h

Electronic Structure and Band Alignment at the NiO and SrTiO ₃ p–n Heterojunctions
journal, July 2017

Zhang, Kelvin H. L.; Wu, Rui; Tang, Fengzai
ACS Applied Materials & Interfaces, Vol. 9, Issue 31
DOI: 10.1021/acsami.7b06025

X‐ray photoemission spectroscopy studies of Sn‐doped indium‐oxide films
journal, August 1977

Fan, John C. C.; Goodenough, John B.
Journal of Applied Physics, Vol. 48, Issue 8
DOI: 10.1063/1.324149

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO ₃
journal, April 2018

Zhang, Jiaye; Han, Shaobo; Luo, Weihuang
Applied Physics Letters, Vol. 112, Issue 17
DOI: 10.1063/1.5029422

Structure, magnetism, and conductivity in epitaxial $Ti$ -doped $α − {Fe}_{2} O_{3}$ hematite: Experiment and density functional theory calculations
journal, March 2007

Droubay, T.; Rosso, K. M.; Heald, S. M.
Physical Review B, Vol. 75, Issue 10
DOI: 10.1103/PhysRevB.75.104412

Tuning the Electronic Structure of NiO via Li Doping for the Fast Oxygen Evolution Reaction
journal, December 2018

Fu, Gaoliang; Wen, Xiaojian; Xi, Shibo
Chemistry of Materials, Vol. 31, Issue 2
DOI: 10.1021/acs.chemmater.8b03776

Electronic structure and $p$ -type conduction mechanism of spinel cobaltite oxide thin films
journal, September 2019

Huang, X. C.; Zhang, J. Y.; Wu, M.
Physical Review B, Vol. 100, Issue 11
DOI: 10.1103/PhysRevB.100.115301

Thermodynamics of native point defects in α-Fe2O3: an ab initio study
journal, January 2013

Lee, Joohee; Han, Seungwu
Physical Chemistry Chemical Physics, Vol. 15, Issue 43
DOI: 10.1039/c3cp53311e

Electronic and transport properties of Li-doped NiO epitaxial thin films
journal, January 2018

Zhang, J. Y.; Li, W. W.; Hoye, R. L. Z.
Journal of Materials Chemistry C, Vol. 6, Issue 9
DOI: 10.1039/C7TC05331B

Perovskite Sr-Doped LaCrO ₃ as a New p-Type Transparent Conducting Oxide
journal, August 2015

Zhang, Kelvin H. L.; Du, Yingge; Papadogianni, Alexandra
Advanced Materials, Vol. 27, Issue 35
DOI: 10.1002/adma.201501959

Studies on deposition of Fe2O3 films by spray pyrolysis method
journal, February 1983

Pawar, S. K.; Pawar, S. H.
Materials Research Bulletin, Vol. 18, Issue 2
DOI: 10.1016/0025-5408(83)90083-1

The electrical properties of alpha ferric oxide—II.
journal, October 1963

Gardner, R. F. G.; Sweett, F.; Tanner, D. W.
Journal of Physics and Chemistry of Solids, Vol. 24, Issue 10
DOI: 10.1016/0022-3697(63)90235-X

Electrical Properties of $α$ - ${Fe}_{2}$ $O_{3}$
journal, March 1954

Morin, F. J.
Physical Review, Vol. 93, Issue 6
DOI: 10.1103/PhysRev.93.1195

Structural, optical and electrical properties of undoped polycrystalline hematite thin films produced using filtered arc deposition
journal, February 2008

Glasscock, J. A.; Barnes, P. R. F.; Plumb, I. C.
Thin Solid Films, Vol. 516, Issue 8
DOI: 10.1016/j.tsf.2007.05.020

Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode
journal, July 2013

Abdi, Fatwa F.; Han, Lihao; Smets, Arno H. M.
Nature Communications, Vol. 4, Issue 1
DOI: 10.1038/ncomms3195

Gradient Self-Doped CuBi ₂ O ₄ with Highly Improved Charge Separation Efficiency
journal, October 2017

Wang, Fuxian; Septina, Wilman; Chemseddine, Abdelkrim
Journal of the American Chemical Society, Vol. 139, Issue 42
DOI: 10.1021/jacs.7b07847

Influence of Reduced Cu Surface States on the Photoelectrochemical Properties of CuBi ₂ O ₄
journal, August 2019

Oropeza, Freddy E.; Feleki, Benjamin T.; Zhang, Kelvin H. L.
ACS Applied Energy Materials, Vol. 2, Issue 9
DOI: 10.1021/acsaem.9b01333

Ultrafast Charge Carrier Recombination and Trapping in Hematite Photoanodes under Applied Bias
journal, July 2014

Pendlebury, Stephanie R.; Wang, Xiuli; Le Formal, Florian
Journal of the American Chemical Society, Vol. 136, Issue 28
DOI: 10.1021/ja504473e

Similar Records in DOE PAGES and OSTI.GOV collections:

A hybrid CoOOH-rGO/Fe₂O₃ photoanode with spatial charge separation and charge transfer for efficient photoelectrochemical water oxidation

Journal Article Chong, Ruifeng ; Wang, Zhenzhen ; Lv, Jiaqi ; ... - Journal of Catalysis

As a promising photoanode for photoelectrochemical (PEC) water oxidation, hematite (Fe₂O₃) still suffers from poor charge mobility and serious charges recombination and sluggish surface oxygen evolution kinetics. Herein, a hybrid photoanode of cobalt (oxy)hydroxide coupled with reduced graphene oxide modified Fe₂O₃ (CoOOH-rGO/Fe₂O₃) is well crafted by a facile hydrothermal synthesis with a chelation-mediated in-situ growth method. Morphology characterizations indicate rGO forms the internal network among isolated Fe₂O₃ and CoOOH nanosheets distribute on the terminal of Fe₂O₃, forming a spatial separated nanostructure. The resultant CoOOH-rGO/Fe₂O₃ exhibits an obviously reduced onset potential of ca. 150 mV and a significantly enhanced photocurrent densitymore »« less
https://doi.org/10.1016/j.jcat.2021.05.006

Full Text Available
Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations

Journal Article Meng, X Y ; College of Sciences, Northeastern University, Shenyang 110004 ; Qin, G W ; ... - Applied Physics Letters

To improve photoelectrochemical (PEC) activity of hematite, the modification of energy band by doping 3d transition metal ions Cu and Ti into {alpha}-Fe{sub 2}O{sub 3} were studied via the first-principles calculations with density function theory (DFT)+U method. The results show that the band gap of hematite is {approx}2.1 eV and n-type dopant Ti improves the electric conductivity, confirmed by recent experiments. The p-type dopant Cu enhances the utilization ratio of solar energy, shifts both valance, and conduction band edges to a higher energy level, satisfying hydrogen production in the visible light driven PEC water splitting without voltage bias.
https://doi.org/10.1063/1.3567766
Influence of annealing temperature and Sn doping on the optical properties of hematite thin films determined by spectroscopic ellipsometry

Journal Article Souza, Lígia P. de ; Chaves, Rodrigo O. G. ; Malachias, Angelo ; ... - Journal of Applied Physics

Hematite (α-Fe{sub 2}O{sub 3}) thin films were prepared by sol-gel route and investigated for application in H{sub 2} generation by photo-assisted water splitting. The photoelectrochemical (PEC) performance was shown to increase significantly for films deposited on SnO{sub 2}:F/glass subjected to high temperature (T) annealing (>750 °C). Strong correlation was found between photogenerated current, donor concentration, and Sn concentration as determined by Mott-Schottky analysis and X-ray photoelectron spectroscopy. The effects of thermal annealing and Sn addition in the resulting microstructure and optical properties of hematite films deposited on fused silica substrates were determined by a combination of structural characterization techniques and spectroscopicmore »« less
https://doi.org/10.1063/1.4954315
Effects of annealing temperature on the physicochemical, optical and photoelectrochemical properties of nanostructured hematite thin films prepared via electrodeposition method

Journal Article Phuan, Yi Wen ; Chong, Meng Nan, E-mail: Chong.Meng.Nan@monash.edu ; Sustainable Water Alliance, Advanced Engineering Platform, Monash University Malaysia, Jalan Lagoon Selatan, Bandar Sunway 46150 Selangor DE ; ... - Materials Research Bulletin

Highlights: • Nanostructured hematite thin films were synthesized via electrodeposition method. • Effects of annealing on size, grain boundary and PEC properties were examined. • Photocurrents generation was enhanced when the thin films were annealed at 600 °C. • The highest photocurrent density of 1.6 mA/cm{sup 2} at 0.6 V vs Ag/AgCl was achieved. - Abstract: Hematite (α-Fe{sub 2}O{sub 3}) is a promising photoanode material for hydrogen production from photoelectrochemical (PEC) water splitting due to its wide abundance, narrow band-gap energy, efficient light absorption and high chemical stability under aqueous environment. The key challenge to the wider utilisation of nanostructuredmore »« less
https://doi.org/10.1016/J.MATERRESBULL.2014.12.059
Sb-Doped SnO₂ Nanorods Underlayer Effect to the α-Fe₂O₃ Nanorods Sheathed with TiO₂ for Enhanced Photoelectrochemical Water Splitting

Journal Article Han, Hyungkyu ; Kment, Stepan ; Karlicky, Frantisek ; ... - Small

In this paper, a Sb-doped SnO₂ (ATO) nanorod underneath an α-Fe₂O₃ nanorod sheathed with TiO₂ for photoelectrochemical (PEC) water splitting is reported. The experimental results, corroborated with theoretical analysis, demonstrate that the ATO nanorod underlayer effect on the α-Fe₂O₃ nanorod sheathed with TiO₂ enhances the PEC water splitting performance. The growth of the well-defined ATO nanorods is reported as a conductive underlayer to improve α-Fe₂O₃ PEC water oxidation performance. The α-Fe₂O₃ nanorods grown on the ATO nanorods exhibit improved performance for PEC water oxidation compared to α-Fe₂O₃ grown on flat fluorine-doped tin oxide glass. Furthermore, a simple and facile TiCl₄more »« less
Cited by 58
https://doi.org/10.1002/smll.201703860

Full Text Available

Similar Records

Title: Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films

Abstract

Citation Formats

Solar Water Splitting Cells journal, November 2010

Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes journal, March 2011

Hematite nanorods Co-doped with Ru cations with different valence states as high performance photoanodes for water splitting journal, September 2015

Kinetics of oxygen evolution at α-Fe2O3 photoanodes: a study by photoelectrochemical impedance spectroscopy journal, January 2011

Dynamics of photogenerated holes in nanocrystalline α-Fe 2 O 3 electrodes for water oxidation probed by transient absorption spectroscopy journal, January 2011

Identifying champion nanostructures for solar water-splitting journal, July 2013

Dendritic Hematite Nanoarray Photoanode Modified with a Conformal Titanium Dioxide Interlayer for Effective Charge Collection journal, August 2017

Epitaxial growth and band alignment of p-NiO/n-Fe2O3 heterojunction on Al2O3(0 0 0 1) journal, January 2019

Enhanced Photoelectrochemical Water Oxidation on Nanostructured Hematite Photoanodes via p-CaFe 2 O 4 /n-Fe 2 O 3 Heterojunction Formation journal, March 2015

Photoelectrochemical and Impedance Spectroscopic Investigation of Water Oxidation with “Co–Pi”-Coated Hematite Electrodes journal, September 2012

Light-Induced Water Splitting with Hematite: Improved Nanostructure and Iridium Oxide Catalysis journal, July 2010

Microscopic Origin of Electron Accumulation in In 2 O 3 journal, January 2013

P -type transparent conducting oxides journal, July 2016

Hole-induced insulator-to-metal transition in L a 1 − x S r x Cr O 3 epitaxial films journal, April 2015

Growth of p-Type Hematite by Atomic Layer Deposition and Its Utilization for Improved Solar Water Splitting journal, March 2012

Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti-Doped Hematite Nanostructures journal, April 2014

Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations journal, March 2011

Electrical transport properties of Ti-doped Fe 2 O 3 (0001) epitaxial films journal, December 2011

Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting journal, May 2011

Solid solubility of Ge, Si, and Mg in Fe2O3 and photoelectric behavior journal, January 1982

Review of Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting journal, July 2014

Improvement of Hematite as Photocatalyst by Doping with Tantalum journal, April 2014

Photoelectrochemical Water Splitting with Mesoporous Hematite Prepared by a Solution-Based Colloidal Approach journal, June 2010

Photoelectrochemical Properties of Fe 2 O 3 −SnO 2 Films Prepared by Sol−Gel Method journal, March 2011

Influence of annealing temperature and Sn doping on the optical properties of hematite thin films determined by spectroscopic ellipsometry journal, June 2016

Enhancement of Photoelectrochemical Hydrogen Production from Hematite Thin Films by the Introduction of Ti and Si journal, November 2007

Titanium incorporation into hematite photoelectrodes: theoretical considerations and experimental observations journal, January 2014

Copper(I)-Based p -Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion journal, August 2016

On the Interfacial Electronic Structure Origin of Efficiency Enhancement in Hematite Photoanodes journal, October 2012

Tin doping speeds up hole transfer during light-driven water oxidation at hematite photoanodes journal, January 2014

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States journal, February 2012

Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping journal, February 2013

Hybrid density functional theory band structure engineering in hematite journal, June 2011

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

Generalized Gradient Approximation Made Simple journal, October 1996

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

Mechanical alloying of an immiscible α- Fe 2 O 3 - SnO 2 ceramic journal, January 1997

The effect of Fe 2+ state in electrical property variations of Sn-doped hematite powders journal, May 2017

Enhanced photoanode properties of epitaxial Ti doped α-Fe 2 O 3 (0001) thin films journal, September 2012

Effect of Orientation on Bulk and Surface Properties of Sn-doped Hematite (α-Fe 2 O 3 ) Heteroepitaxial Thin Film Photoanodes journal, December 2016

The Crystal Structures of Hematite and Corundum journal, March 1925

Domain epitaxy: A unified paradigm for thin film growth journal, January 2003

Domain Matching Epitaxial Growth of In 2 O 3 Thin Films on α-Al 2 O 3 (0001) journal, January 2012

Electronic Structure and Band Alignment at the NiO and SrTiO 3 p–n Heterojunctions journal, July 2017

X‐ray photoemission spectroscopy studies of Sn‐doped indium‐oxide films journal, August 1977

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO 3 journal, April 2018

Structure, magnetism, and conductivity in epitaxial Ti -doped α − Fe 2 O 3 hematite: Experiment and density functional theory calculations journal, March 2007

Tuning the Electronic Structure of NiO via Li Doping for the Fast Oxygen Evolution Reaction journal, December 2018

Electronic structure and p -type conduction mechanism of spinel cobaltite oxide thin films journal, September 2019

Thermodynamics of native point defects in α-Fe2O3: an ab initio study journal, January 2013

Electronic and transport properties of Li-doped NiO epitaxial thin films journal, January 2018

Perovskite Sr-Doped LaCrO 3 as a New p-Type Transparent Conducting Oxide journal, August 2015

Studies on deposition of Fe2O3 films by spray pyrolysis method journal, February 1983

The electrical properties of alpha ferric oxide—II. journal, October 1963

Electrical Properties of α - Fe 2 O 3 journal, March 1954

Structural, optical and electrical properties of undoped polycrystalline hematite thin films produced using filtered arc deposition journal, February 2008

Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode journal, July 2013

Gradient Self-Doped CuBi 2 O 4 with Highly Improved Charge Separation Efficiency journal, October 2017

Influence of Reduced Cu Surface States on the Photoelectrochemical Properties of CuBi 2 O 4 journal, August 2019

Ultrafast Charge Carrier Recombination and Trapping in Hematite Photoanodes under Applied Bias journal, July 2014

Title: Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe₂O₃ Thin Films

Solar Water Splitting Cells
journal, November 2010

Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes
journal, March 2011

Hematite nanorods Co-doped with Ru cations with different valence states as high performance photoanodes for water splitting
journal, September 2015

Kinetics of oxygen evolution at α-Fe2O3 photoanodes: a study by photoelectrochemical impedance spectroscopy
journal, January 2011

Dynamics of photogenerated holes in nanocrystalline α-Fe ₂ O ₃ electrodes for water oxidation probed by transient absorption spectroscopy
journal, January 2011

Identifying champion nanostructures for solar water-splitting
journal, July 2013

Dendritic Hematite Nanoarray Photoanode Modified with a Conformal Titanium Dioxide Interlayer for Effective Charge Collection
journal, August 2017

Epitaxial growth and band alignment of p-NiO/n-Fe2O3 heterojunction on Al2O3(0 0 0 1)
journal, January 2019

Enhanced Photoelectrochemical Water Oxidation on Nanostructured Hematite Photoanodes via p-CaFe ₂ O ₄ /n-Fe ₂ O ₃ Heterojunction Formation
journal, March 2015

Photoelectrochemical and Impedance Spectroscopic Investigation of Water Oxidation with “Co–Pi”-Coated Hematite Electrodes
journal, September 2012

Light-Induced Water Splitting with Hematite: Improved Nanostructure and Iridium Oxide Catalysis
journal, July 2010

Microscopic Origin of Electron Accumulation in ${In}_{2} O_{3}$
journal, January 2013

P -type transparent conducting oxides
journal, July 2016

Hole-induced insulator-to-metal transition in $L a_{1 - x} S r_{x} Cr O_{3}$ epitaxial films
journal, April 2015

Growth of p-Type Hematite by Atomic Layer Deposition and Its Utilization for Improved Solar Water Splitting
journal, March 2012

Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti-Doped Hematite Nanostructures
journal, April 2014

Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations
journal, March 2011

Electrical transport properties of Ti-doped Fe $_{2}$ $O_{3}$ (0001) epitaxial films
journal, December 2011

Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting
journal, May 2011

Solid solubility of Ge, Si, and Mg in Fe2O3 and photoelectric behavior
journal, January 1982

Review of Sn-Doped Hematite Nanostructures for Photoelectrochemical Water Splitting
journal, July 2014

Improvement of Hematite as Photocatalyst by Doping with Tantalum
journal, April 2014

Photoelectrochemical Water Splitting with Mesoporous Hematite Prepared by a Solution-Based Colloidal Approach
journal, June 2010

Photoelectrochemical Properties of Fe ₂ O ₃ −SnO ₂ Films Prepared by Sol−Gel Method
journal, March 2011

Influence of annealing temperature and Sn doping on the optical properties of hematite thin films determined by spectroscopic ellipsometry
journal, June 2016

Enhancement of Photoelectrochemical Hydrogen Production from Hematite Thin Films by the Introduction of Ti and Si
journal, November 2007

Titanium incorporation into hematite photoelectrodes: theoretical considerations and experimental observations
journal, January 2014

Copper(I)-Based p -Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion
journal, August 2016

On the Interfacial Electronic Structure Origin of Efficiency Enhancement in Hematite Photoanodes
journal, October 2012

Tin doping speeds up hole transfer during light-driven water oxidation at hematite photoanodes
journal, January 2014

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States
journal, February 2012

Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping
journal, February 2013

Hybrid density functional theory band structure engineering in hematite
journal, June 2011

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

Generalized Gradient Approximation Made Simple
journal, October 1996

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Mechanical alloying of an immiscible α- ${Fe}_{2}$ $O_{3}$ - ${SnO}_{2}$ ceramic
journal, January 1997

The effect of Fe ²⁺ state in electrical property variations of Sn-doped hematite powders
journal, May 2017

Enhanced photoanode properties of epitaxial Ti doped α-Fe ₂ O ₃ (0001) thin films
journal, September 2012

Effect of Orientation on Bulk and Surface Properties of Sn-doped Hematite (α-Fe ₂ O ₃ ) Heteroepitaxial Thin Film Photoanodes
journal, December 2016

The Crystal Structures of Hematite and Corundum
journal, March 1925

Domain epitaxy: A unified paradigm for thin film growth
journal, January 2003

Domain Matching Epitaxial Growth of In ₂ O ₃ Thin Films on α-Al ₂ O ₃ (0001)
journal, January 2012

Electronic Structure and Band Alignment at the NiO and SrTiO ₃ p–n Heterojunctions
journal, July 2017

X‐ray photoemission spectroscopy studies of Sn‐doped indium‐oxide films
journal, August 1977

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO ₃
journal, April 2018

Structure, magnetism, and conductivity in epitaxial $Ti$ -doped $α − {Fe}_{2} O_{3}$ hematite: Experiment and density functional theory calculations
journal, March 2007

Tuning the Electronic Structure of NiO via Li Doping for the Fast Oxygen Evolution Reaction
journal, December 2018

Electronic structure and $p$ -type conduction mechanism of spinel cobaltite oxide thin films
journal, September 2019

Thermodynamics of native point defects in α-Fe2O3: an ab initio study
journal, January 2013

Electronic and transport properties of Li-doped NiO epitaxial thin films
journal, January 2018

Perovskite Sr-Doped LaCrO ₃ as a New p-Type Transparent Conducting Oxide
journal, August 2015

Studies on deposition of Fe2O3 films by spray pyrolysis method
journal, February 1983

The electrical properties of alpha ferric oxide—II.
journal, October 1963

Electrical Properties of $α$ - ${Fe}_{2}$ $O_{3}$
journal, March 1954

Structural, optical and electrical properties of undoped polycrystalline hematite thin films produced using filtered arc deposition
journal, February 2008

Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode
journal, July 2013

Gradient Self-Doped CuBi ₂ O ₄ with Highly Improved Charge Separation Efficiency
journal, October 2017

Influence of Reduced Cu Surface States on the Photoelectrochemical Properties of CuBi ₂ O ₄
journal, August 2019

Ultrafast Charge Carrier Recombination and Trapping in Hematite Photoanodes under Applied Bias
journal, July 2014