-
2
-
-
41549110640
-
Hydrogen Production from Renewable Energy Sources
-
IEEE: New York
-
Bastien, J.; Handler, C. Hydrogen Production from Renewable Energy Sources. In EIC Climate Change Technology, 2006 IEEE, May 10-12, 2006; IEEE: New York, 2006; pp 1-9.
-
(2006)
EIC Climate Change Technology, 2006 IEEE, May 10-12, 2006
, pp. 1-9
-
-
Bastien, J.1
Handler, C.2
-
4
-
-
79954529303
-
Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes
-
Sivula, K.; Le Formal, F.; Grätzel, M. Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes ChemSusChem 2011, 4, 432-449
-
(2011)
ChemSusChem
, vol.4
, pp. 432-449
-
-
Sivula, K.1
Le Formal, F.2
Grätzel, M.3
-
5
-
-
79951641687
-
Physical Properties of Hematite α-Fe2O3 Thin Films: Application to Photoelectrochemical Solar Cells
-
Shinde, S.; Bansode, R.; Bhosale, C.; Rajpure, K. Physical Properties of Hematite α-Fe2O3 Thin Films: Application to Photoelectrochemical Solar Cells J. Semicond. 2011, 32, 0130011-0130018
-
(2011)
J. Semicond.
, vol.32
, pp. 0130011-0130018
-
-
Shinde, S.1
Bansode, R.2
Bhosale, C.3
Rajpure, K.4
-
6
-
-
84901283770
-
The Electrical Conductivity of Thin Film Donor Doped Hematite: From Insulator to Semiconductor by Defect Modulation
-
Engel, J.; Tuller, H. L. The Electrical Conductivity of Thin Film Donor Doped Hematite: From Insulator to Semiconductor by Defect Modulation Phys. Chem. Chem. Phys. 2014, 16, 11374-11380
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 11374-11380
-
-
Engel, J.1
Tuller, H.L.2
-
7
-
-
84886694204
-
Computational Modeling of Octahedral Iron Oxide Clusters: Hexaaquairon(III) and Its Dimers
-
Yang, Y.; Ratner, M. A.; Schatz, G. C. Computational Modeling of Octahedral Iron Oxide Clusters: Hexaaquairon(III) and Its Dimers J. Phys.Chem. C 2013, 117, 21706-21717
-
(2013)
J. Phys.Chem. C
, vol.117
, pp. 21706-21717
-
-
Yang, Y.1
Ratner, M.A.2
Schatz, G.C.3
-
8
-
-
84908204209
-
Multireference Ab Initio Study of Ligand Field D-D Transitions in Octahedral Transition-Metal Oxide Clusters
-
Yang, Y.; Ratner, M. A.; Schatz, G. C. Multireference Ab Initio Study of Ligand Field D-D Transitions in Octahedral Transition-Metal Oxide Clusters J. Phys.Chem. C 2014, 118, 29196-29208
-
(2014)
J. Phys.Chem. C
, vol.118
, pp. 29196-29208
-
-
Yang, Y.1
Ratner, M.A.2
Schatz, G.C.3
-
9
-
-
84893182292
-
Coupling Ti-Doping and Oxygen Vacancies in Hematite Nanostructures for Solar Water Oxidation with High Efficiency
-
Pu, A.; Deng, J.; Li, M.; Gao, J.; Zhang, H.; Hao, Y.; Zhong, J.; Sun, X. Coupling Ti-Doping and Oxygen Vacancies in Hematite Nanostructures for Solar Water Oxidation with High Efficiency J. Mater. Chem. A 2014, 2, 2491-2497
-
(2014)
J. Mater. Chem. A
, vol.2
, pp. 2491-2497
-
-
Pu, A.1
Deng, J.2
Li, M.3
Gao, J.4
Zhang, H.5
Hao, Y.6
Zhong, J.7
Sun, X.8
-
10
-
-
0037961570
-
An Ab Initio Model of Electron Transport in Hematite (α-Fe2O3) Basal Planes
-
Rosso, K. M.; Smith, D. M. A.; Dupuis, M. An Ab Initio Model of Electron Transport in Hematite (α-Fe2O3) Basal Planes J. Chem. Phys. 2003, 118, 6455-6466
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 6455-6466
-
-
Rosso, K.M.1
Smith, D.M.A.2
Dupuis, M.3
-
11
-
-
79954542169
-
Electron Transport in Pure and Doped Hematite
-
Liao, P.; Toroker, M. C.; Carter, E. A. Electron Transport in Pure and Doped Hematite Nano Lett. 2011, 11, 1775-1781
-
(2011)
Nano Lett.
, vol.11
, pp. 1775-1781
-
-
Liao, P.1
Toroker, M.C.2
Carter, E.A.3
-
12
-
-
84865127852
-
Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis
-
Liao, P.; Keith, J. A.; Carter, E. A. Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis J. Am. Chem. Soc. 2012, 134, 13296-13309
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 13296-13309
-
-
Liao, P.1
Keith, J.A.2
Carter, E.A.3
-
13
-
-
77954209909
-
Electronic, Structural, and Magnetic Effects of 3d Transition Metals in Hematite
-
Huda, M. N.; Walsh, A.; Yan, Y.; Wei, S.-H.; Al-Jassim, M. M. Electronic, Structural, and Magnetic Effects of 3d Transition Metals in Hematite J. Appl. Phys. 2010, 107, 123712
-
(2010)
J. Appl. Phys.
, vol.107
, pp. 123712
-
-
Huda, M.N.1
Walsh, A.2
Yan, Y.3
Wei, S.-H.4
Al-Jassim, M.M.5
-
14
-
-
75249083282
-
Electrodeposited Aluminum-Doped α-Fe2O3 Photoelectrodes: Experiment and Theory
-
Kleiman-Shwarsctein, A.; Huda, M. N.; Walsh, A.; Yan, Y.; Stucky, G. D.; Hu, Y.-S.; Al-Jassim, M. M.; McFarland, E. W. Electrodeposited Aluminum-Doped α-Fe2O3 Photoelectrodes: Experiment and Theory Chem. Mater. 2009, 22, 510-517
-
(2009)
Chem. Mater.
, vol.22
, pp. 510-517
-
-
Kleiman-Shwarsctein, A.1
Huda, M.N.2
Walsh, A.3
Yan, Y.4
Stucky, G.D.5
Hu, Y.-S.6
Al-Jassim, M.M.7
McFarland, E.W.8
-
15
-
-
84878893117
-
Tuning the Band Gap of Hematite α-Fe2O3 by Sulfur Doping
-
Xia, C.; Jia, Y.; Tao, M.; Zhang, Q. Tuning the Band Gap of Hematite α-Fe2O3 by Sulfur Doping Phys. Lett. A 2013, 377, 1943-1947
-
(2013)
Phys. Lett. A
, vol.377
, pp. 1943-1947
-
-
Xia, C.1
Jia, Y.2
Tao, M.3
Zhang, Q.4
-
16
-
-
79959440051
-
Hybrid Density Functional Theory Band Structure Engineering in Hematite
-
Pozun, Z. D.; Henkelman, G. Hybrid Density Functional Theory Band Structure Engineering in Hematite J. Chem. Phys. 2011, 134, 224706
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 224706
-
-
Pozun, Z.D.1
Henkelman, G.2
-
17
-
-
47649108137
-
Pt-Doped α-Fe2O3 Thin Films Active for Photoelectrochemical Water Splitting
-
Hu, Y.-S.; Kleiman-Shwarsctein, A.; Forman, A. J.; Hazen, D.; Park, J.-N.; McFarland, E. W. Pt-Doped α-Fe2O3 Thin Films Active for Photoelectrochemical Water Splitting Chem. Mater. 2008, 20, 3803-3805
-
(2008)
Chem. Mater.
, vol.20
, pp. 3803-3805
-
-
Hu, Y.-S.1
Kleiman-Shwarsctein, A.2
Forman, A.J.3
Hazen, D.4
Park, J.-N.5
McFarland, E.W.6
-
18
-
-
79952927842
-
Controlled Growth of Vertically Oriented Hematite/Pt Composite Nanorod Arrays: Use for Photoelectrochemical Water Splitting
-
Mao, A.; Park, N.-G.; Han, G. Y.; Park, J. H. Controlled Growth of Vertically Oriented Hematite/Pt Composite Nanorod Arrays: Use for Photoelectrochemical Water Splitting Nanotechnology 2011, 22, 175703
-
(2011)
Nanotechnology
, vol.22
, pp. 175703
-
-
Mao, A.1
Park, N.-G.2
Han, G.Y.3
Park, J.H.4
-
19
-
-
84884560876
-
Effects of Platinum Doping on the Photoelectrochemical Properties of Fe2O3 Electrodes
-
Hsu, Y.-P.; Lee, S.-W.; Chang, J.-K.; Tseng, C.-J.; Lee, K.-R.; Wang, C.-H. Effects of Platinum Doping on the Photoelectrochemical Properties of Fe2O3 Electrodes Int. J. Electrochem. Sci. 2013, 8, 11615-11623
-
(2013)
Int. J. Electrochem. Sci.
, vol.8
, pp. 11615-11623
-
-
Hsu, Y.-P.1
Lee, S.-W.2
Chang, J.-K.3
Tseng, C.-J.4
Lee, K.-R.5
Wang, C.-H.6
-
20
-
-
84961368233
-
Single-Crystalline, Wormlike Hematite Photoanodes for Efficient Solar Water Splitting
-
Kim, J. Y.; Magesh, G.; Youn, D. H.; Jang, J.-W.; Kubota, J.; Domen, K.; Lee, J. S. Single-Crystalline, Wormlike Hematite Photoanodes for Efficient Solar Water Splitting Sci. Rep. 2013, 3, 2681
-
(2013)
Sci. Rep.
, vol.3
, pp. 2681
-
-
Kim, J.Y.1
Magesh, G.2
Youn, D.H.3
Jang, J.-W.4
Kubota, J.5
Domen, K.6
Lee, J.S.7
-
21
-
-
84877578069
-
Electrodeposited Nanostructured α-Fe2O3 Thin Films for Solar Water Splitting: Influence of Pt Doping on Photoelectrochemical Performance
-
Rahman, G.; Joo, O.-S. Electrodeposited Nanostructured α-Fe2O3 Thin Films for Solar Water Splitting: Influence of Pt Doping on Photoelectrochemical Performance Mater. Chem. Phys. 2013, 140, 316-322
-
(2013)
Mater. Chem. Phys.
, vol.140
, pp. 316-322
-
-
Rahman, G.1
Joo, O.-S.2
-
22
-
-
0034670756
-
Implementation of the Projector Augmented Wave LDA and U Method
-
Bengone, O.; Blöchl, P.; Alouani, M.; Hugel, J. Implementation of the Projector Augmented Wave LDA and U Method Phys. Rev. B 2000, 62, 16392-16401
-
(2000)
Phys. Rev. B
, vol.62
, pp. 16392-16401
-
-
Bengone, O.1
Blöchl, P.2
Alouani, M.3
Hugel, J.4
-
23
-
-
12844286241
-
Ab Initio Molecular Dynamics for Liquid Metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
24
-
-
0030190741
-
Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
25
-
-
0001486791
-
Electron-Energy-Loss Spectra and the Structural Stability of Nickel Oxide: An LSDA+ U Study
-
Dudarev, S.; Botton, G.; Savrasov, S.; Humphreys, C.; Sutton, A. Electron-Energy-Loss Spectra and the Structural Stability of Nickel Oxide: An LSDA+ U Study Phys. Rev. B 1998, 57, 1505-1509
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1505-1509
-
-
Dudarev, S.1
Botton, G.2
Savrasov, S.3
Humphreys, C.4
Sutton, A.5
-
26
-
-
0012842779
-
First-Principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: The LDA+ U Method
-
Anisimov, V. I.; Aryasetiawan, F.; Lichtenstein, A. First-Principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: The LDA+ U Method J. Phys.: Condens. Matter 1997, 9, 767-808
-
(1997)
J. Phys.: Condens. Matter
, vol.9
, pp. 767-808
-
-
Anisimov, V.I.1
Aryasetiawan, F.2
Lichtenstein, A.3
-
27
-
-
0000752683
-
Band Theory for Electronic and Magnetic Properties of Alpha-Fe2O3
-
Sandratskii, L.; Uhl, M.; Kübler, J. Band Theory for Electronic and Magnetic Properties of Alpha-Fe2O3 J. Phys.: Condens. Matter 1996, 8, 983-989
-
(1996)
J. Phys.: Condens. Matter
, vol.8
, pp. 983-989
-
-
Sandratskii, L.1
Uhl, M.2
Kübler, J.3
-
28
-
-
45849154813
-
First-Principles Calculation of the Structure and Magnetic Phases of Hematite
-
Rollmann, G.; Rohrbach, A.; Entel, P.; Hafner, J. First-Principles Calculation of the Structure and Magnetic Phases of Hematite Phys. Rev. B 2004, 69, 165107
-
(2004)
Phys. Rev. B
, vol.69
, pp. 165107
-
-
Rollmann, G.1
Rohrbach, A.2
Entel, P.3
Hafner, J.4
-
29
-
-
46849113036
-
Rotationally Invariant Ab Initio Evaluation of Coulomb and Exchange Parameters for DFT+ U Calculations
-
Mosey, N. J.; Liao, P.; Carter, E. A. Rotationally Invariant Ab Initio Evaluation of Coulomb and Exchange Parameters for DFT+ U Calculations J. Chem. Phys. 2008, 129, 014103
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 014103
-
-
Mosey, N.J.1
Liao, P.2
Carter, E.A.3
-
30
-
-
33751311443
-
The Crystal Structures of Hematite and Corundum
-
Pauling, L.; Hendricks, S. B. The Crystal Structures of Hematite and Corundum J. Am. Chem. Soc. 1925, 47, 781-790
-
(1925)
J. Am. Chem. Soc.
, vol.47
, pp. 781-790
-
-
Pauling, L.1
Hendricks, S.B.2
-
31
-
-
3843083610
-
Crystal Structure and Isothermal Compression of Fe2O3, Cr2O3, and V2O3 to 50 Kbars
-
Finger, L. W.; Hazen, R. M. Crystal Structure and Isothermal Compression of Fe2O3, Cr2O3, and V2O3 to 50 Kbars J. Appl. Phys. 1980, 51, 5362-5367
-
(1980)
J. Appl. Phys.
, vol.51
, pp. 5362-5367
-
-
Finger, L.W.1
Hazen, R.M.2
-
32
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
33
-
-
4944232881
-
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Phys. Rev. Lett. 1997, 78, 1396-1396
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1396-1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
34
-
-
84905755561
-
Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
-
Fajín, J. L. C.; Cordeiro, M. N. D. S.; Gomes, J. R. B. Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends J. Phys. Chem. A 2014, 118, 5832-5840
-
(2014)
J. Phys. Chem. A
, vol.118
, pp. 5832-5840
-
-
Fajín, J.L.C.1
Cordeiro, M.N.D.S.2
Gomes, J.R.B.3
-
35
-
-
70350391892
-
Carbon on Platinum Substrates: From Carbidic to Graphitic Phases on the (111) Surface and on Nanoparticles
-
Viñes, F.; Neyman, K. M.; Görling, A. Carbon on Platinum Substrates: From Carbidic to Graphitic Phases on the (111) Surface and on Nanoparticles J. Phys. Chem. A 2009, 113, 11963-11973
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 11963-11973
-
-
Viñes, F.1
Neyman, K.M.2
Görling, A.3
-
36
-
-
0011016046
-
Periodic Density Functional Theory Study of Pt (111): Surface Features of Slabs of Different Thicknesses
-
Kokalj, A.; Causà, M. Periodic Density Functional Theory Study of Pt (111): Surface Features of Slabs of Different Thicknesses J. Phys.: Condens. Matter 1999, 11, 7463-7480
-
(1999)
J. Phys.: Condens. Matter
, vol.11
, pp. 7463-7480
-
-
Kokalj, A.1
Causà, M.2
-
37
-
-
0011236321
-
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
38
-
-
25744460922
-
Projector Augmented-Wave Method
-
Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
39
-
-
25044437775
-
Improved Tetrahedron Method for Brillouin-Zone Integrations
-
Blöchl, P. E.; Jepsen, O.; Andersen, O. K. Improved Tetrahedron Method for Brillouin-Zone Integrations Phys. Rev. B 1994, 49, 16223-16233
-
(1994)
Phys. Rev. B
, vol.49
, pp. 16223-16233
-
-
Blöchl, P.E.1
Jepsen, O.2
Andersen, O.K.3
-
40
-
-
0015481414
-
On the Numerical Calculation of the Density of States and Related Properties
-
Lehmann, G.; Taut, M. On the Numerical Calculation of the Density of States and Related Properties Phys. Status Solidi B 1972, 54, 469-477
-
(1972)
Phys. Status Solidi B
, vol.54
, pp. 469-477
-
-
Lehmann, G.1
Taut, M.2
-
41
-
-
33745753520
-
A Fast and Robust Algorithm for Bader Decomposition of Charge Density
-
Henkelman, G.; Arnaldsson, A.; Jónsson, H. A Fast and Robust Algorithm for Bader Decomposition of Charge Density Comput. Mater. Sci. 2006, 36, 354-360
-
(2006)
Comput. Mater. Sci.
, vol.36
, pp. 354-360
-
-
Henkelman, G.1
Arnaldsson, A.2
Jónsson, H.3
-
42
-
-
0001262072
-
Magnetic Susceptibility of α-Fe2O3 and α-Fe2O3 with Added Titanium
-
Morin, F. J. Magnetic Susceptibility of α-Fe2O3 and α-Fe2O3 with Added Titanium Phys. Rev. 1950, 78, 819-820
-
(1950)
Phys. Rev.
, vol.78
, pp. 819-820
-
-
Morin, F.J.1
-
43
-
-
2642560622
-
Temperature and Field Dependence of the Weak Ferromagnetic Moment of Hematite
-
Searle, C. W.; Dean, G. W. Temperature and Field Dependence of the Weak Ferromagnetic Moment of Hematite Phys. Rev. B 1970, 1, 4337-4342
-
(1970)
Phys. Rev. B
, vol.1
, pp. 4337-4342
-
-
Searle, C.W.1
Dean, G.W.2
-
44
-
-
43749120253
-
VESTA: A Three-Dimensional Visualization System for Electronic and Structural Analysis
-
Momma, K.; Izumi, F. VESTA: A Three-Dimensional Visualization System for Electronic and Structural Analysis J. Appl. Crystallogr. 2008, 41, 653-658
-
(2008)
J. Appl. Crystallogr.
, vol.41
, pp. 653-658
-
-
Momma, K.1
Izumi, F.2
-
45
-
-
28744454285
-
Electronic and Magnetic Structure of Transition-Metal-Doped α-Hematite
-
Velev, J.; Bandyopadhyay, A.; Butler, W.; Sarker, S. Electronic and Magnetic Structure of Transition-Metal-Doped α-Hematite Phys. Rev. B 2005, 71, 205208
-
(2005)
Phys. Rev. B
, vol.71
, pp. 205208
-
-
Velev, J.1
Bandyopadhyay, A.2
Butler, W.3
Sarker, S.4
-
47
-
-
84944648082
-
Revised Effective Ionic Radii and Systematic Studies of Interatomic Distances in Halides and Chalcogenides
-
Shannon, R. D. Revised Effective Ionic Radii and Systematic Studies of Interatomic Distances in Halides and Chalcogenides Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 1976, 32, 751-767
-
(1976)
Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr.
, vol.32
, pp. 751-767
-
-
Shannon, R.D.1
-
48
-
-
84861797431
-
Semiconducting Transition-Metal Oxides Based on D5 Cations: Theory for MnO and Fe2O3
-
Peng, H.; Lany, S. Semiconducting Transition-Metal Oxides Based on D5 Cations: Theory for MnO and Fe2O3 Phys. Rev. B 2012, 85, 201202
-
(2012)
Phys. Rev. B
, vol.85
, pp. 201202
-
-
Peng, H.1
Lany, S.2
-
49
-
-
84907207926
-
Photo-Driven Oxidation of Water on α-Fe2O3 Surfaces: An Ab Initio Study
-
Nguyen, M.-T.; Seriani, N.; Piccinin, S.; Gebauer, R. Photo-Driven Oxidation of Water on α-Fe2O3 Surfaces: An Ab Initio Study J. Chem. Phys. 2014, 140, 064703
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 064703
-
-
Nguyen, M.-T.1
Seriani, N.2
Piccinin, S.3
Gebauer, R.4
-
50
-
-
0002836772
-
Structure of α-Fe2O3 Single Crystal Surfaces Following Ar+ Ion Bombardment and Annealing in O2
-
Lad, R. J.; Henrich, V. E. Structure of α-Fe2O3 Single Crystal Surfaces Following Ar+ Ion Bombardment and Annealing in O2 Surf. Sci. 1988, 193, 81-93
-
(1988)
Surf. Sci.
, vol.193
, pp. 81-93
-
-
Lad, R.J.1
Henrich, V.E.2
-
51
-
-
80052552663
-
First Principles Scheme to Evaluate Band Edge Positions in Potential Transition Metal Oxide Photocatalysts and Photoelectrodes
-
Toroker, M. C.; Kanan, D. K.; Alidoust, N.; Isseroff, L. Y.; Liao, P.; Carter, E. A. First Principles Scheme to Evaluate Band Edge Positions in Potential Transition Metal Oxide Photocatalysts and Photoelectrodes Phys. Chem. Chem. Phys. 2011, 13, 16644-16654
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 16644-16654
-
-
Toroker, M.C.1
Kanan, D.K.2
Alidoust, N.3
Isseroff, L.Y.4
Liao, P.5
Carter, E.A.6
-
52
-
-
84874457622
-
Electronic Excitations in Light Absorbers for Photoelectrochemical Energy Conversion: First Principles Calculations Based on Many Body Perturbation Theory
-
Ping, Y.; Rocca, D.; Galli, G. Electronic Excitations in Light Absorbers for Photoelectrochemical Energy Conversion: First Principles Calculations Based on Many Body Perturbation Theory Chem. Soc. Rev. 2013, 42, 2437-2469
-
(2013)
Chem. Soc. Rev.
, vol.42
, pp. 2437-2469
-
-
Ping, Y.1
Rocca, D.2
Galli, G.3
-
53
-
-
80051718526
-
Testing Variations of the Gw Approximation on Strongly Correlated Transition Metal Oxides: Hematite (α-Fe2O3) as a Benchmark
-
Liao, P.; Carter, E. A. Testing Variations of the Gw Approximation on Strongly Correlated Transition Metal Oxides: Hematite (α-Fe2O3) as a Benchmark Phys. Chem. Chem. Phys. 2011, 13, 15189-15199
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 15189-15199
-
-
Liao, P.1
Carter, E.A.2
-
54
-
-
34547469024
-
Electrolysis of Water on Oxide Surfaces
-
Rossmeisl, J.; Qu, Z.-W.; Zhu, H.; Kroes, G.-J.; Nørskov, J. K. Electrolysis of Water on Oxide Surfaces J. Electroanal. Chem. 2007, 607, 83-89
-
(2007)
J. Electroanal. Chem.
, vol.607
, pp. 83-89
-
-
Rossmeisl, J.1
Qu, Z.-W.2
Zhu, H.3
Kroes, G.-J.4
Nørskov, J.K.5
-
55
-
-
48249096442
-
Oxidation and Photo-Oxidation of Water on TiO2 Surface
-
Valdes, A.; Qu, Z.-W.; Kroes, G.-J.; Rossmeisl, J.; Nørskov, J. K. Oxidation and Photo-Oxidation of Water on TiO2 Surface J. Phys. Chem. C 2008, 112, 9872-9879
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 9872-9879
-
-
Valdes, A.1
Qu, Z.-W.2
Kroes, G.-J.3
Rossmeisl, J.4
Nørskov, J.K.5
-
56
-
-
80051809046
-
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
-
Man, I. C.; Su, H. Y.; Calle-Vallejo, F.; Hansen, H. A.; Martínez, J. I.; Inoglu, N. G.; Kitchin, J.; Jaramillo, T. F.; Nørskov, J. K.; Rossmeisl, J. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces ChemCatChem 2011, 3, 1159-1165
-
(2011)
ChemCatChem
, vol.3
, pp. 1159-1165
-
-
Man, I.C.1
Su, H.Y.2
Calle-Vallejo, F.3
Hansen, H.A.4
Martínez, J.I.5
Inoglu, N.G.6
Kitchin, J.7
Jaramillo, T.F.8
Nørskov, J.K.9
Rossmeisl, J.10
-
57
-
-
9744261716
-
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
-
Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jonsson, H. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode J. Phys. Chem. B 2004, 108, 17886-17892
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 17886-17892
-
-
Nørskov, J.K.1
Rossmeisl, J.2
Logadottir, A.3
Lindqvist, L.4
Kitchin, J.R.5
Bligaard, T.6
Jonsson, H.7
-
58
-
-
84897975480
-
First-Principles Modeling of Electrochemical Water Oxidation on MnO: ZnO (001)
-
Kanan, D. K.; Keith, J. A.; Carter, E. A. First-Principles Modeling of Electrochemical Water Oxidation on MnO: ZnO (001) ChemElectroChem 2014, 1, 407-415
-
(2014)
ChemElectroChem
, vol.1
, pp. 407-415
-
-
Kanan, D.K.1
Keith, J.A.2
Carter, E.A.3
-
59
-
-
84908572435
-
Hydrogen Generation by Water Splitting on Hematite (0001) Surfaces: First-Principles Calculations
-
Pan, H.; Meng, X.; Qin, G. Hydrogen Generation by Water Splitting on Hematite (0001) Surfaces: First-Principles Calculations Phys. Chem. Chem. Phys. 2014, 16, 25442-25448
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 25442-25448
-
-
Pan, H.1
Meng, X.2
Qin, G.3
-
60
-
-
0000841125
-
Electronic Structure of 3d-Transition-Metal Oxides: On-Site Coulomb Repulsion Versus Covalency
-
Zimmermann, R.; Steiner, P.; Claessen, R.; Reinert, F.; Hüfner, S.; Blaha, P.; Dufek, P. Electronic Structure of 3d-Transition-Metal Oxides: On-Site Coulomb Repulsion Versus Covalency J. Phys.: Condens. Matter 1999, 11, 1657-1682
-
(1999)
J. Phys.: Condens. Matter
, vol.11
, pp. 1657-1682
-
-
Zimmermann, R.1
Steiner, P.2
Claessen, R.3
Reinert, F.4
Hüfner, S.5
Blaha, P.6
Dufek, P.7
-
61
-
-
84868538588
-
Hole Transport in Nonstoichiometric and Doped Wüstite
-
Toroker, M. C.; Carter, E. A. Hole Transport in Nonstoichiometric and Doped Wüstite J. Phys. Chem. C 2012, 116, 17403-17413
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 17403-17413
-
-
Toroker, M.C.1
Carter, E.A.2
-
62
-
-
34548180960
-
Detailed Balance Limit of Efficiency of P-N Junction Solar Cells
-
Shockley, W.; Queisser, H. J. Detailed Balance Limit of Efficiency of P-N Junction Solar Cells J. Appl. Phys. 1961, 32, 510-519
-
(1961)
J. Appl. Phys.
, vol.32
, pp. 510-519
-
-
Shockley, W.1
Queisser, H.J.2
-
64
-
-
52649110237
-
DFT Study of the Thermodynamic Stability of Pd- Pt Bulk Oxide Phases
-
Dianat, A.; Seriani, N.; Bobeth, M.; Pompe, W.; Ciacchi, L. C. DFT Study of the Thermodynamic Stability of Pd- Pt Bulk Oxide Phases J. Phys. Chem. C 2008, 112, 13623-13628
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 13623-13628
-
-
Dianat, A.1
Seriani, N.2
Bobeth, M.3
Pompe, W.4
Ciacchi, L.C.5
-
65
-
-
0014699693
-
Small-Polaron Versus Band Conduction in Some Transition-Metal Oxides
-
Bosman, A.; Van Daal, H. Small-Polaron Versus Band Conduction in Some Transition-Metal Oxides Adv. Phys. 1970, 19, 1-117
-
(1970)
Adv. Phys.
, vol.19
, pp. 1-117
-
-
Bosman, A.1
Van Daal, H.2
-
66
-
-
53349153662
-
Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces
-
Fernández, E. M.; Moses, P. G.; Toftelund, A.; Hansen, H. A.; Martínez, J. I.; Abild-Pedersen, F.; Kleis, J.; Hinnemann, B.; Rossmeisl, J.; Bligaard, T. Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces Angew. Chem., Int. Ed. 2008, 47, 4683-4686
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 4683-4686
-
-
Fernández, E.M.1
Moses, P.G.2
Toftelund, A.3
Hansen, H.A.4
Martínez, J.I.5
Abild-Pedersen, F.6
Kleis, J.7
Hinnemann, B.8
Rossmeisl, J.9
Bligaard, T.10
-
67
-
-
84908192084
-
Theoretical Insights into the Mechanism of Water Oxidation on Nonstoichiometric and Titanium-Doped Fe2O3(0001)
-
Toroker, M. C. Theoretical Insights into the Mechanism of Water Oxidation on Nonstoichiometric and Titanium-Doped Fe2O3(0001) J. Phys. Chem. C 2014, 118, 23162-23167
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 23162-23167
-
-
Toroker, M.C.1
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