Visible-light driven heterojunction photocatalysts for water splitting – a critical review

Solar driven catalysis on semiconductors to produce clean chemical fuels, such as hydrogen, is widely considered as a promising route to mitigate environmental issues caused by the combustion of fossil fuels and to meet increasing worldwide demands for energy. The major limiting factors affecting the efficiency of solar fuel synthesis include; (i) light absorption, (ii) charge separation and transport and (iii) surface chemical reaction; therefore substantial efforts have been put into solving these problems. In particular, the loading of co-catalysts or secondary semiconductors that can act as either electron or hole acceptors for improved charge separation is a promising strategy, leading to the adaptation of a junction architecture. Research related to semiconductor junction photocatalysts has developed very rapidly and there are a few comprehensive reviews in which the strategy is discussed (A. Kudo and Y. Miseki, Chemical Society Reviews, 2009, 38, 253–278, K. Li, D. Martin, and J. Tang, Chinese Journal of Catalysis, 2011, 32, 879–890, R. Marschall, Advanced Functional Materials, 2014, 24, 2421–2440). This critical review seeks to give an overview of the concept of heterojunction construction and more importantly, the current state-of-the art for the efficient, visible-light driven junction water splitting photo(electro)catalysts reported over the past ten years. For water splitting, these include BiVO4, Fe2O3, Cu2O and C3N4, which have attracted increasing attention. Experimental observations of the proposed charge transfer mechanism across the semiconductor/semiconductor/metal junctions and the resultant activity enhancement are discussed. In parallel, recent successes in the theoretical modelling of semiconductor electronic structures at interfaces and how these explain the functionality of the junction structures is highlighted.

[1]  D. Macfarlane,et al.  Carbon Quantum Dots/Cu2O Heterostructures for Solar‐Light‐Driven Conversion of CO2 to Methanol , 2015 .

[2]  Michael Grätzel,et al.  Photoelectrochemical hydrogen production in alkaline solutions using Cu2O coated with earth-abundant hydrogen evolution catalysts. , 2014, Angewandte Chemie.

[3]  W. Choi,et al.  N-doped TiO2 nanotubes coated with a thin TaOxNy layer for photoelectrochemical water splitting: dual bulk and surface modification of photoanodes , 2015 .

[4]  Zhengxiao Guo,et al.  Fe2 O3 -TiO2 nanocomposites for enhanced charge separation and photocatalytic activity. , 2014, Chemistry.

[5]  L. Jing,et al.  Effective visible-excited charge separation in silicate-bridged ZnO/BiVO4 nanocomposite and its contribution to enhanced photocatalytic activity. , 2014, ACS applied materials & interfaces.

[6]  K. Domen,et al.  Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting. , 2014, Chemical Society reviews.

[7]  S. Jiao,et al.  High-performance p-Cu2O/n-TaON heterojunction nanorod photoanodes passivated with an ultrathin carbon sheath for photoelectrochemical water splitting , 2014 .

[8]  J. Moon,et al.  Double-Deck Inverse Opal Photoanodes: Efficient Light Absorption and Charge Separation in Heterojunction , 2014 .

[9]  H. Tüysüz,et al.  Cobalt-Oxide-Based Materials as Water Oxidation Catalyst: Recent Progress and Challenges , 2014 .

[10]  Liping Li,et al.  Hybridization of brookite TiO2 with g-C3N4: a visible-light-driven photocatalyst for As3+ oxidation, MO degradation and water splitting for hydrogen evolution , 2014 .

[11]  Sang Ho Oh,et al.  Efficient photoelectrochemical hydrogen production from bismuth vanadate-decorated tungsten trioxide helix nanostructures , 2014, Nature Communications.

[12]  Junwang Tang,et al.  Visible light-driven pure water splitting by a nature-inspired organic semiconductor-based system. , 2014, Journal of the American Chemical Society.

[13]  M. Khraisheh,et al.  Earth-Abundant Oxygen Evolution Catalysts Coupled onto ZnO Nanowire Arrays for Efficient Photoelectrochemical Water Cleavage , 2014, Chemistry.

[14]  Fan Zuo,et al.  Branched WO3 Nanosheet Array with Layered C3N4 Heterojunctions and CoOx Nanoparticles as a Flexible Photoanode for Efficient Photoelectrochemical Water Oxidation , 2014, Advanced materials.

[15]  Yongfa Zhu,et al.  Preparation of visible light-driven g-C₃N₄@ZnO hybrid photocatalyst via mechanochemistry. , 2014, Physical chemistry chemical physics : PCCP.

[16]  Xiaoyu Han,et al.  Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons. , 2014, Nano letters.

[17]  Jianshe Liu,et al.  Semiconductor heterojunction photocatalysts: design, construction, and photocatalytic performances. , 2014, Chemical Society reviews.

[18]  Zhengxiao Guo,et al.  Highly Efficient Photocatalytic H2 Evolution from Water using Visible Light and Structure-Controlled Graphitic Carbon Nitride** , 2014, Angewandte Chemie (International Ed. in English).

[19]  Junwang Tang,et al.  1D Co‐Pi Modified BiVO4/ZnO Junction Cascade for Efficient Photoelectrochemical Water Cleavage , 2014 .

[20]  James R. Durrant,et al.  Dynamics of photogenerated holes in undoped BiVO4 photoanodes for solar water oxidation , 2014 .

[21]  J. Robertson,et al.  Metal Oxide Induced Charge Transfer Doping and Band Alignment of Graphene Electrodes for Efficient Organic Light Emitting Diodes , 2014, Scientific Reports.

[22]  Bowen Zhu,et al.  Programmable Photo‐Electrochemical Hydrogen Evolution Based on Multi‐Segmented CdS‐Au Nanorod Arrays , 2014, Advanced materials.

[23]  A. Manivannan,et al.  Solar hydrogen generation by a CdS-Au-TiO2 sandwich nanorod array enhanced with Au nanoparticle as electron relay and plasmonic photosensitizer. , 2014, Journal of the American Chemical Society.

[24]  Frank E. Osterloh,et al.  Limiting factors for photochemical charge separation in BiVO4/Co3O4, a highly active photocatalyst for water oxidation in sunlight , 2014 .

[25]  Hui‐Ming Cheng,et al.  CdS–mesoporous ZnS core–shell particles for efficient and stable photocatalytic hydrogen evolution under visible light , 2014 .

[26]  A. Pasquarello,et al.  Band offsets of lattice-matched semiconductor heterojunctions through hybrid functionals and G 0 W 0 , 2014 .

[27]  Yi Luo,et al.  Designing p-type semiconductor-metal hybrid structures for improved photocatalysis. , 2014, Angewandte Chemie.

[28]  Wei‐De Zhang,et al.  Construction of ZnO/ZnS/CdS/CuInS₂ core-shell nanowire arrays via ion exchange: p-n junction photoanode with enhanced photoelectrochemical activity under visible light. , 2014, ACS applied materials & interfaces.

[29]  R. Marschall,et al.  Semiconductor Composites: Strategies for Enhancing Charge Carrier Separation to Improve Photocatalytic Activity , 2014 .

[30]  Morphological, optical and photoelectrochemical properties of Fe2O3–GNP composite thin films , 2014 .

[31]  Zhengguo Zhang,et al.  In Situ Template-Free Ion-Exchange Process to Prepare Visible-Light-Active g-C3N4/NiS Hybrid Photocatalysts with Enhanced Hydrogen Evolution Activity , 2014 .

[32]  H. Fu,et al.  Long‐Lived, Visible‐Light‐Excited Charge Carriers of TiO2/BiVO4 Nanocomposites and their Unexpected Photoactivity for Water Splitting , 2014 .

[33]  J. Noh,et al.  Heterojunction Fe2O3-SnO2 Nanostructured Photoanode for Efficient Photoelectrochemical Water Splitting , 2014 .

[34]  M. Kuno,et al.  Double heterojunction nanowire photocatalysts for hydrogen generation. , 2014, Nanoscale.

[35]  J. Baumberg,et al.  Al-doped ZnO inverse opal networks as efficient electron collectors in BiVO 4 photoanodes for solar water oxidation† , 2014 .

[36]  Alexander J. Cowan,et al.  Interfacial charge separation in Cu2O/RuO(x) as a visible light driven CO2 reduction catalyst. , 2014, Physical chemistry chemical physics : PCCP.

[37]  Alexey A. Sokol,et al.  ChemShell—a modular software package for QM/MM simulations , 2014 .

[38]  Kyoung-Shin Choi,et al.  Nanoporous BiVO4 Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting , 2014, Science.

[39]  Kimfung Li,et al.  Cu2O/Reduced Graphene Oxide Composites for the Photocatalytic Conversion of CO2 , 2014, ChemSusChem.

[40]  B. Yao,et al.  An experimental and first-principles study on band alignments at interfaces of Cu2ZnSnS4/CdS/ZnO heterojunctions , 2014 .

[41]  Junwang Tang,et al.  Enhanced photoelectrochemical water splitting by nanostructured BiVO4–TiO2 composite electrodes , 2014 .

[42]  K. Butler,et al.  Prediction of electron energies in metal oxides. , 2014, Accounts of chemical research.

[43]  P. Molina,et al.  Low pH electrolytic water splitting using earth-abundant metastable catalysts that self-assemble in situ. , 2014, Journal of the American Chemical Society.

[44]  Y. Qi,et al.  Enhanced visible-light photocatalytic activity of g-C3N4/Zn2GeO4 heterojunctions with effective interfaces based on band match. , 2014, Nanoscale.

[45]  K. Kowalski,et al.  Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description , 2014, Journal of chemical theory and computation.

[46]  Jing Zhao,et al.  Photochemical Charge Separation in Nanocrystal Photocatalyst Films: Insights from Surface Photovoltage Spectroscopy. , 2014, The journal of physical chemistry letters.

[47]  C. Carmalt,et al.  A simple, low-cost CVD route to thin films of BiFeO3 for efficient water photo-oxidation , 2014 .

[48]  Zhenyi Zhang,et al.  Enhanced visible-light-driven photocatalytic hydrogen generation over g-C3N4 through loading the noble metal-free NiS2 cocatalyst , 2014 .

[49]  Michael Grätzel,et al.  Hydrogen evolution from a copper(I) oxide photocathode coated with an amorphous molybdenum sulphide catalyst , 2014, Nature Communications.

[50]  C. Catlow,et al.  The reactivity of CO2 on the MgO(100) surface. , 2013, Physical chemistry chemical physics : PCCP.

[51]  Aron Walsh,et al.  Electronic structure and band alignment of zinc nitride, Zn3N2 , 2014 .

[52]  Shengping Wang,et al.  Selective deposition of Ag₃PO₄ on monoclinic BiVO₄(040) for highly efficient photocatalysis. , 2013, Small.

[53]  S. Alaya,et al.  Band offset of the ZnO/Cu2O heterojunction from ab initio calculations , 2013 .

[54]  E. Carter,et al.  First principles study of bonding, adhesion, and electronic structure at the Cu2O(111)/ZnO101¯0 interface , 2013 .

[55]  Wei Zhang,et al.  Noble-metal-free NiS/C3 N4 for efficient photocatalytic hydrogen evolution from water. , 2013, ChemSusChem.

[56]  W. Jaegermann,et al.  Energy Band Alignment between Anatase and Rutile TiO2 , 2013 .

[57]  J. Jasinski,et al.  Tungsten oxide-coated copper oxide nanowire arrays for enhanced activity and durability with photoelectrochemical water splitting , 2013 .

[58]  T. Tachikawa,et al.  Promoting water photooxidation on transparent WO3 thin films using an alumina overlayer , 2013 .

[59]  Li Wang,et al.  Corrigendum: Ultrafast universal quantum control of a quantum-dot charge qubit using Landau–Zener–Stückelberg interference , 2013, Nature Communications.

[60]  Yong Zhou,et al.  Rational and scalable fabrication of high-quality WO3/CdS core/shell nanowire arrays for photoanodes toward enhanced charge separation and transport under visible light. , 2013, Nanoscale.

[61]  Junhong Chen,et al.  Constructing 2D Porous Graphitic C3N4 Nanosheets/Nitrogen‐Doped Graphene/Layered MoS2 Ternary Nanojunction with Enhanced Photoelectrochemical Activity , 2013, Advanced materials.

[62]  N. Umezawa,et al.  Facet engineered Ag3PO4 for efficient water photooxidation , 2013 .

[63]  Jiaguo Yu,et al.  Efficient visible-light photocatalytic hydrogen evolution and enhanced photostability of core/shell CdS/g-C3N4 nanowires. , 2013, ACS applied materials & interfaces.

[64]  Junwang Tang,et al.  Controllable proton and CO2 photoreduction over Cu2O with various morphologies , 2013 .

[65]  A. Walsh,et al.  Band alignment of rutile and anatase TiO₂. , 2013, Nature materials.

[66]  I. Tanaka,et al.  Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study , 2013 .

[67]  Junwang Tang,et al.  CuOx-TiO2 junction: what is the active component for photocatalytic H2 production? , 2013, Physical chemistry chemical physics : PCCP.

[68]  T. Xie,et al.  Enhancement of photocatalytic H2 evolution on Zn(0.8)Cd(0.2)S loaded with CuS as cocatalyst and its photogenerated charge transfer properties. , 2013, Dalton transactions.

[69]  F. Gao,et al.  In Situ Loading Transition Metal Oxide Clusters on TiO2 Nanosheets As Co-catalysts for Exceptional High Photoactivity , 2013 .

[70]  Tom J. Savenije,et al.  The Origin of Slow Carrier Transport in BiVO4 Thin Film Photoanodes: A Time-Resolved Microwave Conductivity Study , 2013 .

[71]  Shaowen Cao,et al.  Red phosphor/g-C3N4 heterojunction with enhanced photocatalytic activities for solar fuels production , 2013 .

[72]  Minglong Zhang,et al.  Photoelectrochemical cells for solar hydrogen production: current state of promising photoelectrodes, methods to improve their properties, and outlook , 2013 .

[73]  R. R. Pelá,et al.  All-out band structure and band offset ab initio predictions for AlN/GaN and AlP/GaP interfaces , 2013 .

[74]  Ping Yu,et al.  Silver Phosphate/Carbon Nanotube-Stabilized Pickering Emulsion for Highly Efficient Photocatalysis , 2013 .

[75]  M. Döbeli,et al.  Hematite-NiO/α-Ni(OH)2 heterostructure photoanodes with high electrocatalytic current density and charge storage capacity. , 2013, Physical chemistry chemical physics : PCCP.

[76]  Jiaguo Yu,et al.  Fabrication of NiS modified CdS nanorod p-n junction photocatalysts with enhanced visible-light photocatalytic H2-production activity. , 2013, Physical chemistry chemical physics : PCCP.

[77]  Alexander J. Cowan,et al.  Charge carrier trapping, recombination and transfer in hematite (α-Fe2O3) water splitting photoanodes , 2013 .

[78]  Jian Liu,et al.  Facile preparation of NiS/CdS-t composite photocatalyst for hydrogen evolution from aqueous solution of sulphide/sulphite under visible light , 2013 .

[79]  H. Fu,et al.  In Situ Fabrication of Ag/Ag3PO4/Graphene Triple Heterostructure Visible‐Light Photocatalyst through Graphene‐Assisted Reduction Strategy , 2013 .

[80]  J. Loo,et al.  Understanding the photoelectrochemical properties of a reduced graphene oxide–WO3 heterojunction photoanode for efficient solar-light-driven overall water splitting , 2013 .

[81]  N. Lewis,et al.  Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy , 2013 .

[82]  Shuxin Ouyang,et al.  A new heterojunction Ag3PO4/Cr-SrTiO3 photocatalyst towards efficient elimination of gaseous organic pollutants under visible light irradiation , 2013 .

[83]  Hyunwoong Park,et al.  Strategic Modification of BiVO4 for Improving Photoelectrochemical Water Oxidation Performance , 2013 .

[84]  K. Sivula Metal Oxide Photoelectrodes for Solar Fuel Production, Surface Traps, and Catalysis. , 2013, The journal of physical chemistry letters.

[85]  A. Walsh,et al.  Band alignment in SnS thin-film solar cells: Possible origin of the low conversion efficiency , 2013 .

[86]  Hyunwoong Park,et al.  Solar water oxidation using nickel-borate coupled BiVO4 photoelectrodes. , 2013, Physical chemistry chemical physics : PCCP.

[87]  K. Domen,et al.  Fabrication of CaFe2O4/TaON heterojunction photoanode for photoelectrochemical water oxidation. , 2013, Journal of the American Chemical Society.

[88]  A. B. Jorge,et al.  H2 and O2 Evolution from Water Half-Splitting Reactions by Graphitic Carbon Nitride Materials , 2013 .

[89]  Zhiqun Lin,et al.  p-n Heterojunction photoelectrodes composed of Cu2O-loaded TiO2 nanotube arrays with enhanced photoelectrochemical and photoelectrocatalytic activities , 2013 .

[90]  J. Bisquert,et al.  Elucidating Operating Modes of Bulk-Heterojunction Solar Cells from Impedance Spectroscopy Analysis. , 2013, The journal of physical chemistry letters.

[91]  Jun Kubota,et al.  Stable hydrogen evolution from CdS-modified CuGaSe2 photoelectrode under visible-light irradiation. , 2013, Journal of the American Chemical Society.

[92]  C. Bignozzi,et al.  Nanostructured photoelectrodes based on WO3: applications to photooxidation of aqueous electrolytes. , 2013, Chemical Society reviews.

[93]  E. Carter,et al.  New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides. , 2013, Chemical Society Reviews.

[94]  Yiseul Park,et al.  Progress in bismuth vanadate photoanodes for use in solar water oxidation. , 2013, Chemical Society reviews.

[95]  Alexander J. Cowan,et al.  Long-lived charge separated states in nanostructured semiconductor photoelectrodes for the production of solar fuels. , 2013, Chemical Society reviews.

[96]  Yongjing Lin,et al.  Forming heterojunctions at the nanoscale for improved photoelectrochemical water splitting by semiconductor materials: case studies on hematite. , 2013, Accounts of chemical research.

[97]  John A Turner,et al.  BiVO(4)/CuWO(4) heterojunction photoanodes for efficient solar driven water oxidation. , 2013, Physical chemistry chemical physics : PCCP.

[98]  K. Domen,et al.  Photoelectrochemical properties of LaTiO2N electrodes prepared by particle transfer for sunlight-driven water splitting , 2013 .

[99]  Pingyun Feng,et al.  A three-dimensional branched cobalt-doped α-Fe2O3 nanorod/MgFe2O4 heterojunction array as a flexible photoanode for efficient photoelectrochemical water oxidation. , 2013, Angewandte Chemie.

[100]  Jian Zhou,et al.  Band offsets and heterostructures of two-dimensional semiconductors , 2013 .

[101]  Lin-wang Wang,et al.  Si:WO3 heterostructure for Z-scheme water splitting: an ab initio study , 2013 .

[102]  J. Jang,et al.  Geometric Effect of Single or Double Metal-Tipped CdSe Nanorods on Photocatalytic H2 Generation. , 2012, The journal of physical chemistry letters.

[103]  Fan Zuo,et al.  Visible light-driven α-Fe₂O₃ nanorod/graphene/BiV₁-xMoxO₄ core/shell heterojunction array for efficient photoelectrochemical water splitting. , 2012, Nano letters.

[104]  Chia-Yu Lin,et al.  Cu2O|NiOx nanocomposite as an inexpensive photocathode in photoelectrochemical water splitting , 2012 .

[105]  G. Cantele,et al.  First principles calculations of the band offset at SrTiO3−TiO2 interfaces , 2012 .

[106]  Yanhong Lin,et al.  Enhancement of visible-light-driven photoresponse of Mn/ZnO system: photogenerated charge transfer properties and photocatalytic activity. , 2012, Nanoscale.

[107]  R. Ramprasad,et al.  CdSe/CdTe interface band gaps and band offsets calculated using spin–orbit and self-energy corrections , 2012 .

[108]  Kuei-Hsien Chen,et al.  Plasmonic Ag@Ag3(PO4)1−x nanoparticle photosensitized ZnO nanorod-array photoanodes for water oxidation , 2012 .

[109]  Fan Zuo,et al.  Ag3PO4 Oxygen Evolution Photocatalyst Employing Synergistic Action of Ag/AgBr Nanoparticles and Graphene Sheets , 2012 .

[110]  J. Conesa Modeling with Hybrid Density Functional Theory the Electronic Band Alignment at the Zinc Oxide–Anatase Interface , 2012 .

[111]  Seung-Bin Park,et al.  Organic-inorganic composite of g-C3N4–SrTiO3:Rh photocatalyst for improved H2 evolution under visible light irradiation , 2012 .

[112]  A. Demkov,et al.  Band alignment and electronic structure of the anatase TiO2/SrTiO3(001) heterostructure integrated on Si(001) , 2012 .

[113]  Nianqiang Wu,et al.  Photoelectrochemical performance enhanced by a nickel oxide-hematite p-n junction photoanode. , 2012, Chemical communications.

[114]  Dunwei Wang,et al.  Hematite/Si nanowire dual-absorber system for photoelectrochemical water splitting at low applied potentials. , 2012, Journal of the American Chemical Society.

[115]  K. Domen,et al.  Visible-light-driven nonsacrificial water oxidation over tungsten trioxide powder modified with two different cocatalysts , 2012 .

[116]  Alexander J. Cowan,et al.  Dynamics of photogenerated holes in surface modified α-Fe2O3 photoanodes for solar water splitting , 2012, Proceedings of the National Academy of Sciences.

[117]  J. Yates,et al.  Band bending in semiconductors: chemical and physical consequences at surfaces and interfaces. , 2012, Chemical reviews.

[118]  Xiaoxiang Xu,et al.  A red metallic oxide photocatalyst. , 2012, Nature materials.

[119]  Lei Ge,et al.  Synthesis and Efficient Visible Light Photocatalytic Hydrogen Evolution of Polymeric g-C3N4 Coupled with CdS Quantum Dots , 2012 .

[120]  J. Barber,et al.  A cuprous oxide-reduced graphene oxide (Cu2O-rGO) composite photocatalyst for hydrogen generation: employing rGO as an electron acceptor to enhance the photocatalytic activity and stability of Cu2O. , 2012, Nanoscale.

[121]  J. Durrant,et al.  Enhanced photocatalytic activity of nc-TiO2 by promoting photogenerated electrons captured by the adsorbed oxygen. , 2012, Physical chemistry chemical physics : PCCP.

[122]  Changcun Han,et al.  Synthesis of MWNTs/g-C3N4 composite photocatalysts with efficient visible light photocatalytic hydrogen evolution activity , 2012 .

[123]  Xien Liu,et al.  Nanostructure-based WO3 photoanodes for photoelectrochemical water splitting. , 2012, Physical chemistry chemical physics : PCCP.

[124]  T. Furtak,et al.  Light induced water oxidation on cobalt-phosphate (Co-Pi) catalyst modified semi-transparent, porous SiO2-BiVO4 electrodes. , 2012, Physical chemistry chemical physics : PCCP.

[125]  Roel van de Krol,et al.  Nature and Light Dependence of Bulk Recombination in Co-Pi-Catalyzed BiVO4 Photoanodes , 2012 .

[126]  Kazunari Domen,et al.  Highly stable water splitting on oxynitride TaON photoanode system under visible light irradiation. , 2012, Journal of the American Chemical Society.

[127]  Vittal K. Yachandra,et al.  Structure-activity correlations in a nickel-borate oxygen evolution catalyst. , 2012, Journal of the American Chemical Society.

[128]  J. Durrant,et al.  Dynamics of photogenerated charges in the phosphate modified TiO2 and the enhanced activity for photoelectrochemical water splitting , 2012 .

[129]  Alexander J. Cowan,et al.  Correlating long-lived photogenerated hole populations with photocurrent densities in hematite water oxidation photoanodes , 2012 .

[130]  K. Sayama,et al.  Highly efficient photoelectrochemical water splitting using a thin film photoanode of BiVO4/SnO2/WO3 multi-composite in a carbonate electrolyte. , 2012, Chemical communications.

[131]  Yongjing Lin,et al.  Growth of p-type hematite by atomic layer deposition and its utilization for improved solar water splitting. , 2012, Journal of the American Chemical Society.

[132]  M. Scheffler,et al.  New perspective on formation energies and energy levels of point defects in nonmetals. , 2012, Physical review letters.

[133]  Weichao Wang,et al.  Investigation of band offsets of interface BiOCl:Bi2WO6: a first-principles study. , 2012, Physical chemistry chemical physics : PCCP.

[134]  Kyoung-Shin Choi,et al.  Efficient and stable photo-oxidation of water by a bismuth vanadate photoanode coupled with an iron oxyhydroxide oxygen evolution catalyst. , 2012, Journal of the American Chemical Society.

[135]  Peng Wang,et al.  Highly stable copper oxide composite as an effective photocathode for water splitting via a facile electrochemical synthesis strategy , 2012 .

[136]  Hua Zhang,et al.  Graphene-based composites. , 2012, Chemical Society reviews.

[137]  M. Jaroniec,et al.  Graphene-based semiconductor photocatalysts. , 2012, Chemical Society Reviews.

[138]  Yong Wang,et al.  Polymeric graphitic carbon nitride as a heterogeneous organocatalyst: from photochemistry to multipurpose catalysis to sustainable chemistry. , 2012, Angewandte Chemie.

[139]  W. Marsden I and J , 2012 .

[140]  W. Choi,et al.  Cobalt-phosphate complexes catalyze the photoelectrochemical water oxidation of BiVO4 electrodes. , 2011, Physical chemistry chemical physics : PCCP.

[141]  Stafford W. Sheehan,et al.  Hematite-based solar water splitting: challenges and opportunities , 2011 .

[142]  T. Furtak,et al.  Cobalt-phosphate (Co-Pi) catalyst modified Mo-doped BiVO4 photoelectrodes for solar water oxidation , 2011 .

[143]  D. Gamelin,et al.  Near-complete suppression of surface recombination in solar photoelectrolysis by "Co-Pi" catalyst-modified W:BiVO4. , 2011, Journal of the American Chemical Society.

[144]  Kyoung-Shin Choi,et al.  Synthesis and Photoelectrochemical Properties of Fe2O3/ZnFe2O4 Composite Photoanodes for Use in Solar Water Oxidation , 2011 .

[145]  Electronic coupling in iron oxide-modified TiO2 leads to a reduced band gap and charge separation for visible light active photocatalysis. , 2011, Physical chemistry chemical physics : PCCP.

[146]  Gang Liu,et al.  g-C(3)N(4) coated SrTiO(3) as an efficient photocatalyst for H(2) production in aqueous solution under visible light irradiation , 2011 .

[147]  D. Chi,et al.  Effect of oxygen evolution catalysts on hematite nanorods for solar water oxidation. , 2011, Chemical communications.

[148]  D. Klug,et al.  The role of cobalt phosphate in enhancing the photocatalytic activity of α-Fe2O3 toward water oxidation. , 2011, Journal of the American Chemical Society.

[149]  W. Casey,et al.  Electrochemical water oxidation with cobalt-based electrocatalysts from pH 0-14: the thermodynamic basis for catalyst structure, stability, and activity. , 2011, Journal of the American Chemical Society.

[150]  A. Kudo,et al.  Rh-doped SrTiO3 photocatalyst electrode showing cathodic photocurrent for water splitting under visible-light irradiation. , 2011, Journal of the American Chemical Society.

[151]  Rui Shi,et al.  Enhancement of photocurrent and photocatalytic activity of ZnO hybridized with graphite-like C3N4 , 2011 .

[152]  K. Domen,et al.  SrNbO2N as a water-splitting photoanode with a wide visible-light absorption band. , 2011, Journal of the American Chemical Society.

[153]  Alexander J. Cowan,et al.  Charge Carrier Dynamics on Mesoporous WO3 during Water Splitting , 2011 .

[154]  Jiaguo Yu,et al.  Highly efficient visible-light-driven photocatalytic hydrogen production of CdS-cluster-decorated graphene nanosheets. , 2011, Journal of the American Chemical Society.

[155]  Vincent Laporte,et al.  Highly active oxide photocathode for photoelectrochemical water reduction. , 2011, Nature materials.

[156]  Hongjian Yan,et al.  Photocatalytic H2 Evolution on CdS Loaded with WS2 as Cocatalyst under Visible Light Irradiation , 2011 .

[157]  A. Xu,et al.  Highly Durable N-Doped Graphene/CdS Nanocomposites with Enhanced Photocatalytic Hydrogen Evolution from Water under Visible Light Irradiation , 2011 .

[158]  Shuxin Ouyang,et al.  Facile synthesis of rhombic dodecahedral AgX/Ag3PO4 (X = Cl, Br, I) heterocrystals with enhanced photocatalytic properties and stabilities. , 2011, Physical chemistry chemical physics : PCCP.

[159]  Jae Sung Lee,et al.  Heterojunction BiVO4/WO3 electrodes for enhanced photoactivity of water oxidation , 2011 .

[160]  M. Grätzel,et al.  Photo-assisted electrodeposition of cobalt–phosphate (Co–Pi) catalyst on hematite photoanodes for solar water oxidation , 2011 .

[161]  Liejin Guo,et al.  Nanostructured WO₃/BiVO₄ heterojunction films for efficient photoelectrochemical water splitting. , 2011, Nano letters.

[162]  Michael Grätzel,et al.  Solar water splitting: progress using hematite (α-Fe(2) O(3) ) photoelectrodes. , 2011, ChemSusChem.

[163]  Guodong Li,et al.  Macroporous V2O5−BiVO4 Composites: Effect of Heterojunction on the Behavior of Photogenerated Charges , 2011 .

[164]  L. G. Ferreira,et al.  First-principles calculation of the AlAs/GaAs interface band structure using a self-energy–corrected local density approximation , 2011 .

[165]  M. Jaroniec,et al.  Preparation and Enhanced Visible-Light Photocatalytic H2-Production Activity of Graphene/C3N4 Composites , 2011 .

[166]  L. Peter,et al.  Kinetics of oxygen evolution at α-Fe2O3 photoanodes: a study by photoelectrochemical impedance spectroscopy. , 2011, Physical chemistry chemical physics : PCCP.

[167]  Qimin Yan,et al.  Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN. , 2011, The Journal of chemical physics.

[168]  Yongjing Lin,et al.  Nanonet-based hematite heteronanostructures for efficient solar water splitting. , 2011, Journal of the American Chemical Society.

[169]  T. Frauenheim,et al.  Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems , 2011 .

[170]  Alexander J. Cowan,et al.  Mechanism of O2 Production from Water Splitting: Nature of Charge Carriers in Nitrogen Doped Nanocrystalline TiO2 Films and Factors Limiting O2 Production , 2011 .

[171]  Hongjian Yan,et al.  TiO2-g-C3N4 composite materials for photocatalytic H2 evolution under visible light irradiation , 2011 .

[172]  J. A. Seabold,et al.  Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO3 Photoanode , 2011 .

[173]  Alexander J. Cowan,et al.  Dynamics of photogenerated holes in nanocrystalline α-Fe2O3 electrodes for water oxidation probed by transient absorption spectroscopy. , 2011, Chemical communications.

[174]  Fan Zhang,et al.  Water splitting by tungsten oxide prepared by atomic layer deposition and decorated with an oxygen-evolving catalyst. , 2011, Angewandte Chemie.

[175]  M. Antonietti,et al.  Synthesis of ordered porous graphitic-C3N4 and regularly arranged Ta3N5 nanoparticles by using self-assembled silica nanospheres as a primary template. , 2011, Chemistry, an Asian journal.

[176]  Micael J. T. Oliveira,et al.  Density-based mixing parameter for hybrid functionals , 2010, 1009.4303.

[177]  Junwang Tang,et al.  Conversion of solar energy to fuels by inorganic heterogeneous systems , 2011 .

[178]  Aron Walsh,et al.  Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory , 2010 .

[179]  James R. McKone,et al.  Solar water splitting cells. , 2010, Chemical reviews.

[180]  S. Shevlin,et al.  Electronic and Optical Properties of Doped and Undoped (TiO2)n Nanoparticles , 2010 .

[181]  Michael Grätzel,et al.  Light-induced water splitting with hematite: improved nanostructure and iridium oxide catalysis. , 2010, Angewandte Chemie.

[182]  Rose Amal,et al.  Reducing Graphene Oxide on a Visible-Light BiVO4 Photocatalyst for an Enhanced Photoelectrochemical Water Splitting , 2010 .

[183]  Z. Romanowski,et al.  Density Functional Theory (DFT) Simulations and Polarization Analysis of the Electric Field in InN/GaN Multiple Quantum Wells (MQWs) , 2010 .

[184]  M Miskufova,et al.  Advances in computational studies of energy materials , 2010, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[185]  Xiaobo Chen,et al.  Effect of Ag2S on solar-driven photocatalytic hydrogen evolution of nanostructured CdS , 2010 .

[186]  Hui Yang,et al.  An orthophosphate semiconductor with photooxidation properties under visible-light irradiation. , 2010, Nature materials.

[187]  Anke Weidenkaff,et al.  Photoelectrochemical water splitting with mesoporous hematite prepared by a solution-based colloidal approach. , 2010, Journal of the American Chemical Society.

[188]  C. Schumann,et al.  Surface photovoltage of Ag nanoparticles and Au chains on Si(111) , 2010 .

[189]  A. Cavallini,et al.  Surface photovoltage spectroscopy - method and applications , 2010 .

[190]  D. Gamelin,et al.  Photoelectrochemical water oxidation by cobalt catalyst ("Co-Pi")/alpha-Fe(2)O(3) composite photoanodes: oxygen evolution and resolution of a kinetic bottleneck. , 2010, Journal of the American Chemical Society.

[191]  M. Ichimura,et al.  Experimental determination of band offsets at the SnS/CdS and SnS/InSxOy heterojunctions , 2010 .

[192]  Fang Qian,et al.  Double-sided CdS and CdSe quantum dot co-sensitized ZnO nanowire arrays for photoelectrochemical hydrogen generation. , 2010, Nano letters.

[193]  Y. Nosaka,et al.  Enhanced photoelectrocatalytic activity of FTO/WO3/BiVO4 electrode modified with gold nanoparticles for water oxidation under visible light irradiation , 2010 .

[194]  Hongjian Yan,et al.  Visible-light-driven hydrogen production with extremely high quantum efficiency on Pt-PdS/CdS photocatalyst , 2009 .

[195]  Xinyong Li,et al.  Fabrication of Cu2O/TiO2 nanotube heterojunction arrays and investigation of its photoelectrochemical behavior , 2009 .

[196]  John T. M. Kennis,et al.  Ultrafast transient absorption spectroscopy: principles and application to photosynthetic systems , 2009, Photosynthesis Research.

[197]  L. Fonseca,et al.  Accurate prediction of the `Si/SiO IND.2´ interface band offset using the self-consistent ab initio DFT/LDA-1/2 method , 2009 .

[198]  Michael Grätzel,et al.  WO3-Fe2O3 Photoanodes for Water Splitting: A Host Scaffold, Guest Absorber Approach , 2009 .

[199]  A. Walsh,et al.  Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors , 2009 .

[200]  Jianwei Sun,et al.  Solar water oxidation by composite catalyst/alpha-Fe(2)O(3) photoanodes. , 2009, Journal of the American Chemical Society.

[201]  M. Ichimura Calculation of band offsets at the CdS/SnS heterojunction , 2009 .

[202]  Chong-Min Wang,et al.  Band offsets at the epitaxial anatase TiO2/n-SrTiO3(001) interface , 2009 .

[203]  Aron Walsh,et al.  Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals , 2009 .

[204]  A. Kudo,et al.  Heterogeneous photocatalyst materials for water splitting. , 2009, Chemical Society reviews.

[205]  D. Nocera,et al.  Cobalt-phosphate oxygen-evolving compound. , 2009, Chemical Society reviews.

[206]  M. Antonietti,et al.  A metal-free polymeric photocatalyst for hydrogen production from water under visible light. , 2009, Nature materials.

[207]  Zhengxiao Guo,et al.  Density functional theory simulations of complex hydride and carbon-based hydrogen storage materials. , 2009, Chemical Society reviews.

[208]  D. Klug,et al.  Mechanism of photocatalytic water splitting in TiO2. Reaction of water with photoholes, importance of charge carrier dynamics, and evidence for four-hole chemistry. , 2008, Journal of the American Chemical Society.

[209]  Daniel G. Nocera,et al.  In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+ , 2008, Science.

[210]  David A Dixon,et al.  Molecular structures and energetics of the (TiO2)n (n = 1-4) clusters and their anions. , 2008, The journal of physical chemistry. A.

[211]  Can Li,et al.  Enhancement of photocatalytic H2 evolution on CdS by loading MoS2 as Cocatalyst under visible light irradiation. , 2008, Journal of the American Chemical Society.

[212]  Hyunwoong Park,et al.  Effects of the preparation method of the ternary CdS/TiO2/Pt hybrid photocatalysts on visible light-induced hydrogen production , 2008 .

[213]  Qing Chen,et al.  CdS quantum dots sensitized TiO2 nanotube-array photoelectrodes. , 2008, Journal of the American Chemical Society.

[214]  Scott W. Donne,et al.  Flat-Band Potential of a Semiconductor: Using the Mott Schottky Equation. , 2007 .

[215]  P. Sherwood,et al.  Point defects in ZnO. , 2007, Faraday discussions.

[216]  Stefano Lenci,et al.  Philosophical Transactions: Mathematical, Physical and Engineering Sciences (Series A): Introduction , 2006 .

[217]  Tomoki Akita,et al.  All-solid-state Z-scheme in CdS–Au–TiO2 three-component nanojunction system , 2006, Nature materials.

[218]  T. Ivanov,et al.  Surface photovoltage phase spectroscopy – a handy tool for characterisation of bulk semiconductors and nanostructures , 2006 .

[219]  A. Maldonado,et al.  Physical properties of ZnO:F obtained from a fresh and aged solution of zinc acetate and zinc acetylacetonate , 2006 .

[220]  Neil Genzlinger A. and Q , 2006 .

[221]  Kazuhiko Maeda,et al.  GaN:ZnO solid solution as a photocatalyst for visible-light-driven overall water splitting. , 2005, Journal of the American Chemical Society.

[222]  H. Kim,et al.  An undoped, single-phase oxide photocatalyst working under visible light. , 2004, Journal of the American Chemical Society.

[223]  Z. Zou,et al.  Photoelectrochemical decomposition of water on nanocrystalline BiVO4 film electrodes under visible light. , 2003, Chemical communications.

[224]  G. Scuseria,et al.  Hybrid functionals based on a screened Coulomb potential , 2003 .

[225]  A. Kudo Photocatalyst Materials for Water Splitting , 2003 .

[226]  A. Shluger,et al.  Modeling charge self-trapping in wide-gap dielectrics: Localization problem in local density functionals , 2002, cond-mat/0205218.

[227]  W. Aulbur,et al.  Quasiparticle calculations of band offsets at AlN–GaN interfaces , 2002 .

[228]  Tsuyoshi Takata,et al.  Photoreactions on LaTiO2N under Visible Light Irradiation , 2002 .

[229]  Kevin Barraclough,et al.  I and i , 2001, BMJ : British Medical Journal.

[230]  L. Kronik,et al.  Surface photovoltage phenomena: theory, experiment, and applications , 1999 .

[231]  G. Scuseria,et al.  Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional , 1999 .

[232]  Hideki Kato,et al.  Photocatalytic O2 evolution under visible light irradiation on BiVO4 in aqueous AgNO3 solution , 1998 .

[233]  James Barber,et al.  Three-dimensional structure of the plant photosystem II reaction centre at 8 Å resolution , 1998, Nature.

[234]  A. Zunger,et al.  Calculated natural band offsets of all II–VI and III–V semiconductors: Chemical trends and the role of cation d orbitals , 1998 .

[235]  A. Baldereschi,et al.  Band engineering at interfaces : Theory and numerical experiments , 1998 .

[236]  Turner,et al.  A monolithic photovoltaic-photoelectrochemical device for hydrogen production via water splitting , 1998, Science.

[237]  K. Burke,et al.  Rationale for mixing exact exchange with density functional approximations , 1996 .

[238]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[239]  Allen J. Bard,et al.  Artificial Photosynthesis: Solar Splitting of Water to Hydrogen and Oxygen , 1995 .

[240]  V. Anisimov,et al.  Band theory and Mott insulators: Hubbard U instead of Stoner I. , 1991, Physical review. B, Condensed matter.

[241]  J. Bass,et al.  A method for determining band offsets in semiconductor superlattices and interfaces , 1989 .

[242]  Martin,et al.  Theoretical calculations of heterojunction discontinuities in the Si/Ge system. , 1986, Physical review. B, Condensed matter.

[243]  John P. Perdew,et al.  Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities , 1983 .

[244]  A. Zunger,et al.  CORRIGENDUM: Momentum-space formalism for the total energy of solids , 1979 .

[245]  D. Cahen,et al.  Tungsten trioxide as a photoanode for a photoelectrochemical cell (PEC) , 1976, Nature.

[246]  A. Fujishima,et al.  Electrochemical Photolysis of Water at a Semiconductor Electrode , 1972, Nature.

[247]  R. Stephenson A and V , 1962, The British journal of ophthalmology.

[248]  H. R.,et al.  The Philosophical Transactions , 1889, Nature.