-
2
-
-
35348875044
-
Electrochemical photolysis of water at a semiconductor electrode
-
A. Fujishima, and K. Honda Electrochemical photolysis of water at a semiconductor electrode Nature 238 1972 37
-
(1972)
Nature
, vol.238
, pp. 37
-
-
Fujishima, A.1
Honda, K.2
-
3
-
-
0016814515
-
Photoassisted electrolysis of water by irradiation of a titanium dioxide electrode
-
M.S. Wrighton, D.S. Ginley, P.T. Wolczanski, A.B. Ellis, D.L. Morse, and A. Linz Photoassisted electrolysis of water by irradiation of a titanium dioxide electrode Proc. Nat. Acad. Sci. USA 72 1975 1518
-
(1975)
Proc. Nat. Acad. Sci. USA
, vol.72
, pp. 1518
-
-
Wrighton, M.S.1
Ginley, D.S.2
Wolczanski, P.T.3
Ellis, A.B.4
Morse, D.L.5
Linz, A.6
-
4
-
-
84902151000
-
Revisiting the original works related to titania photocatalysis: A review of papers in the early stage of photocatalysis studies
-
B. Ohtani Revisiting the original works related to titania photocatalysis: a review of papers in the early stage of photocatalysis studies Electrochemistry 82 2014 414
-
(2014)
Electrochemistry
, vol.82
, pp. 414
-
-
Ohtani, B.1
-
5
-
-
0029882755
-
Electrochemical and photoelectrochemical investigation of single-crystal anatase
-
L. Kavan, M. Grätzel, S.E. Gilbert, C. Klemenz, and H.J. Scheel Electrochemical and photoelectrochemical investigation of single-crystal anatase J. Am. Chem. Soc. 118 1996 6716
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6716
-
-
Kavan, L.1
Grätzel, M.2
Gilbert, S.E.3
Klemenz, C.4
Scheel, H.J.5
-
7
-
-
84858237189
-
2-based nanomaterials
-
2-based nanomaterials Adv. Phys. Chem. 2011 2011 786759
-
(2011)
Adv. Phys. Chem.
, vol.2011
, pp. 786759
-
-
Beranek, R.1
-
8
-
-
84856224412
-
A comparison of quantum-size anatase and rutile nanowire thin films: Devising differences in the electronic structure from photoelectrochemical measurements
-
M. Jankulovska, T. Berger, T.L. Villarreal, and R. Gomez A comparison of quantum-size anatase and rutile nanowire thin films: Devising differences in the electronic structure from photoelectrochemical measurements Electrochim. Acta 62 2012 172
-
(2012)
Electrochim. Acta
, vol.62
, pp. 172
-
-
Jankulovska, M.1
Berger, T.2
Villarreal, T.L.3
Gomez, R.4
-
9
-
-
84857049044
-
Electrochemistry of titanium dioxide: Some aspects and highlights
-
L. Kavan Electrochemistry of titanium dioxide: Some aspects and highlights Chem. Rec. 12 2012 131
-
(2012)
Chem. Rec.
, vol.12
, pp. 131
-
-
Kavan, L.1
-
11
-
-
19844378617
-
2 nanoparticles: Influence of charge transfer between the nanoparticles on their photoluminescence excitation bands
-
2 nanoparticles: Influence of charge transfer between the nanoparticles on their photoluminescence excitation bands Chem. Phys. Lett. 409 2005 81
-
(2005)
Chem. Phys. Lett.
, vol.409
, pp. 81
-
-
Nakajima, H.1
Mori, T.2
Shen, Q.3
Toyoda, T.4
-
12
-
-
2442715275
-
Charge separation at the rutile/anatase interface: A dominant factor of photocatalytic activity
-
T. Miyagi, M. Kamei, T. Mitsuhashi, T. Ishigaki, and A. Yamazaki Charge separation at the rutile/anatase interface: A dominant factor of photocatalytic activity Chem. Phys. Lett. 390 2004 399
-
(2004)
Chem. Phys. Lett.
, vol.390
, pp. 399
-
-
Miyagi, T.1
Kamei, M.2
Mitsuhashi, T.3
Ishigaki, T.4
Yamazaki, A.5
-
15
-
-
84883141002
-
2
-
2 Nat. Mater. 12 2013 798
-
(2013)
Nat. Mater.
, vol.12
, pp. 798
-
-
Scanlon, D.O.1
Dunnill, C.W.2
Buckeridge, J.3
Shevlin, S.A.4
Logsdail, A.J.5
Woodley, S.M.6
Catlow, C.R.A.7
Powell, M.J.8
Palgrave, R.G.9
Parkin, I.P.10
Watson, G.W.11
Keal, T.W.12
Sherwood, P.13
Walsh, A.14
Sokol, A.A.15
-
16
-
-
84890399333
-
2
-
2 J. Phys. Chem. Lett. 4 2013 4182
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 4182
-
-
Pfeifer, V.1
Erhart, P.2
Li, S.3
Rachut, K.4
Morasch, J.5
Brötz, J.6
Reckers, P.7
Mayer, T.8
Rühle, S.9
Zaban, A.10
Mora Serfio, I.11
Bisquert, J.12
Jaegermann, W.13
Klein, A.14
-
19
-
-
84938403308
-
Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases
-
R. Li, Y. Weng, X. Zhou, X. Wang, Y. Mi, R. Chong, H. Han, and C. Li Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases Energy Environ. Sci. 8 2015 2377
-
(2015)
Energy Environ. Sci.
, vol.8
, pp. 2377
-
-
Li, R.1
Weng, Y.2
Zhou, X.3
Wang, X.4
Mi, Y.5
Chong, R.6
Han, H.7
Li, C.8
-
20
-
-
79952020934
-
Band lineup and charge carrier separation in mixed rutile-anatase systems
-
P. Deák, B. Aradi, and T. Frauenheim Band lineup and charge carrier separation in mixed rutile-anatase systems J. Phys. Chem. C 115 2011 3443
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 3443
-
-
Deák, P.1
Aradi, B.2
Frauenheim, T.3
-
21
-
-
84902652152
-
Theoretical study of charge separation at the rutile-anatase interface
-
J. Kullgren, Huynh Anh Huy, B. Aradi, T. Frauenheim, and P. Deák Theoretical study of charge separation at the rutile-anatase interface Phys. Status Solidi RRL 8 2014 566
-
(2014)
Phys. Status Solidi RRL
, vol.8
, pp. 566
-
-
Kullgren, J.1
Huy, H.A.2
Aradi, B.3
Frauenheim, T.4
Deák, P.5
-
22
-
-
84942437055
-
Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ Adsorption
-
J. Kullgren, B. Aradi, T. Frauenheim, L. Kavan, and P. Deák Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ Adsorption J. Phys. Chem. C 119 2015 21952
-
(2015)
J. Phys. Chem. C
, vol.119
, pp. 21952
-
-
Kullgren, J.1
Aradi, B.2
Frauenheim, T.3
Kavan, L.4
Deák, P.5
-
23
-
-
0346672084
-
The absolute electrode potential: An explanatory note (Recommendations 1986)
-
S. Trasatti The absolute electrode potential: An explanatory note (Recommendations 1986) J. Electroanal. Chem 209 1986 417
-
(1986)
J. Electroanal. Chem
, vol.209
, pp. 417
-
-
Trasatti, S.1
-
25
-
-
84937899433
-
2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase
-
2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase Phys. Rev. B 92 2015 045204
-
(2015)
Phys. Rev. B
, vol.92
, pp. 045204
-
-
Deák, P.1
Aradi, B.2
Frauenheim, T.3
-
26
-
-
57649159482
-
Heterogeneous photocatalyst materials for water splitting
-
A. Kudo, and Y. Miseki Heterogeneous photocatalyst materials for water splitting Chem. Soc. Rev. 38 2009 253
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 253
-
-
Kudo, A.1
Miseki, Y.2
-
29
-
-
84931282090
-
2: Demonstrating how absolute reference potentials are determined by local coordination
-
2: Demonstrating how absolute reference potentials are determined by local coordination Chem. Mater. 27 2015 3844
-
(2015)
Chem. Mater.
, vol.27
, pp. 3844
-
-
Buckeridge, J.1
Butler, K.T.2
Catlow, C.R.A.3
Logsdail, A.J.4
Scanlon, D.O.5
Shevlin, S.A.6
Woodley, S.M.7
Sokol, A.A.8
Walsh, A.9
-
31
-
-
84865261846
-
Ultrathin films on copper(i) oxide water splitting photocathodes: A study on performance and stability
-
A. Paracchino, N. Mathews, T. Hisatomi, M. Stefik, S.D. Tilley, and M. Grätzel Ultrathin films on copper(i) oxide water splitting photocathodes: A study on performance and stability Energy Environ. Sci. 5 2012 8673
-
(2012)
Energy Environ. Sci.
, vol.5
, pp. 8673
-
-
Paracchino, A.1
Mathews, N.2
Hisatomi, T.3
Stefik, M.4
Tilley, S.D.5
Grätzel, M.6
-
32
-
-
79957496297
-
Highly active oxide photocathode for photoelectrochemical water reduction
-
A. Paracchino, V. Laporte, K. Sivula, M. Grätzel, and E. Thimsen Highly active oxide photocathode for photoelectrochemical water reduction Nat. Mater. 10 2011 456
-
(2011)
Nat. Mater.
, vol.10
, pp. 456
-
-
Paracchino, A.1
Laporte, V.2
Sivula, K.3
Grätzel, M.4
Thimsen, E.5
-
36
-
-
84856745518
-
Rationally designed cobalt complexes as redox shuttle for dye-sensitized solar cells to exceed 1000 mV
-
J.-H. Yum, E. Baranoff, F. Kessler, T. Moehl, S. Ahmad, T. Bessho, A. Marchioro, E. Ghadiri, J.E. Moser, M.K. Nazeeruddin, and M. Grätzel Rationally designed cobalt complexes as redox shuttle for dye-sensitized solar cells to exceed 1000 mV Nature Comm. 3 2012 631
-
(2012)
Nature Comm.
, vol.3
, pp. 631
-
-
Yum, J.-H.1
Baranoff, E.2
Kessler, F.3
Moehl, T.4
Ahmad, S.5
Bessho, T.6
Marchioro, A.7
Ghadiri, E.8
Moser, J.E.9
Nazeeruddin, M.K.10
Grätzel, M.11
-
37
-
-
84865520817
-
2 nanosheets
-
2 nanosheets J. Solid State Electrochem. 16 2012 2993
-
(2012)
J. Solid State Electrochem.
, vol.16
, pp. 2993
-
-
Laskova, B.1
Zukalova, M.2
Kavan, L.3
Chou, A.4
Liska, P.5
Wei, Z.6
Bin, L.7
Kubat, P.8
Ghadiri, E.9
Moser, J.E.10
Grätzel, M.11
-
38
-
-
84943151428
-
Highly efficient planar perovskite solar cells through band alignment engineering
-
J.P.C. Baena, L. Steier, W. Tress, M. Saliba, S. Neutzner, T. Matsui, F. Giordano, T.J. Jacobsson, A.R.S. Kandada, S.M. Zakeeruddin, A. Petrozza, A. Abate, M.K. Nazeeruddin, M. Grätzel, and A. Hagfeldt Highly efficient planar perovskite solar cells through band alignment engineering Energy Environ. Sci. 8 2015 2928
-
(2015)
Energy Environ. Sci.
, vol.8
, pp. 2928
-
-
Baena, J.P.C.1
Steier, L.2
Tress, W.3
Saliba, M.4
Neutzner, S.5
Matsui, T.6
Giordano, F.7
Jacobsson, T.J.8
Kandada, A.R.S.9
Zakeeruddin, S.M.10
Petrozza, A.11
Abate, A.12
Nazeeruddin, M.K.13
Grätzel, M.14
Hagfeldt, A.15
-
40
-
-
84908657724
-
2 blocking layer under reverse bias
-
2 blocking layer under reverse bias J. Phys. Chem. Lett. 5 2014 3931
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 3931
-
-
Moehl, T.1
Im, J.H.2
Lee, Y.H.3
Domanski, K.4
Giordano, F.5
Zakeeruddin, S.M.6
Dar, M.I.7
Heiniger, L.P.8
Nazeeruddin, M.K.9
Park, N.G.10
Graetzel, M.11
-
41
-
-
84899731030
-
First-principles calculations for point defects in solids
-
C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C.G. Van de Walle First-principles calculations for point defects in solids Rev. Mod. Phys. 86 2014 253
-
(2014)
Rev. Mod. Phys.
, vol.86
, pp. 253
-
-
Freysoldt, C.1
Grabowski, B.2
Hickel, T.3
Neugebauer, J.4
Kresse, G.5
Janotti, A.6
Van De Walle, C.G.7
-
42
-
-
0037799714
-
Hybrid functionals based on a screened Coulomb potential
-
J. Heyd, G.E. Scuseria, and M. Ernzerhof Hybrid functionals based on a screened Coulomb potential J. Chem. Phys. 118 2003 8207
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
43
-
-
33845518500
-
Influence of the exchange screening parameter on the performance of screened hybrid functionals
-
A.V. Krukau, O.A. Vydrov, A.F. Izmaylov, and G.E. Scuseria Influence of the exchange screening parameter on the performance of screened hybrid functionals J. Chem. Phys. 125 2006 224106
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
44
-
-
70349472607
-
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
-
S. Lany, and A. Zunger Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors Phys. Rev. B 80 2009 085202
-
(2009)
Phys. Rev. B
, vol.80
, pp. 085202
-
-
Lany, S.1
Zunger, A.2
-
45
-
-
79959405955
-
2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping
-
2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping Phys. Rev. B 83 2011 155207
-
(2011)
Phys. Rev. B
, vol.83
, pp. 155207
-
-
Deák, P.1
Aradi, B.2
Frauenheim, T.3
-
50
-
-
27744460065
-
Amorphous-Semiconductor Transition in Germanium
-
G. Kresse, and J. Hafner Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 49 1994 14251
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14251
-
-
Kresse, G.1
Hafner, J.2
-
51
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 011169
-
(1996)
Phys. Rev. B
, vol.54
, pp. 011169
-
-
Kresse, G.1
Furthmüller, J.2
-
52
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
53
-
-
25744460922
-
Projector augmented-wave method
-
P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
54
-
-
79960645403
-
Van der Waals density functionals applied to solids
-
J. Klimeš, D.R. Bowler, and A. Michaelides Van der Waals density functionals applied to solids Phys. Rev. B 83 2011 95131
-
(2011)
Phys. Rev. B
, vol.83
, pp. 95131
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
55
-
-
69449093005
-
Efficient implementation of a Van der Waals density functional: Application to double-wall carbon nanotubes
-
G. Román-Pérez, and J.M. Soler Efficient implementation of a Van der Waals density functional: application to double-wall carbon nanotubes Phys. Rev. Lett. 103 2009 096102
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 096102
-
-
Román-Pérez, G.1
Soler, J.M.2
-
56
-
-
3242718844
-
Van der Waals density functional for general geometries
-
M. Dion, M.H. Rydberg, E. Schröder, D.C. Langreth, and B.I. Lundqvist Van der Waals density functional for general geometries Phys. Rev. Lett. 92 2004 246401
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, M.H.2
Schröder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
-
57
-
-
1542779956
-
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
-
M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Phys. Rev. B 58 1998 7260
-
(1998)
Phys. Rev. B
, vol.58
, pp. 7260
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Haugk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
58
-
-
34447127776
-
DFTB+, a sparse matrix-based implementation of the DFTB method
-
B. Aradi, B. Hourahine, and T. Frauenheim DFTB+, a sparse matrix-based implementation of the DFTB method J. Phys. Chem. A 111 5678 2007
-
(2007)
J. Phys. Chem. A
, vol.111
, Issue.5678
-
-
Aradi, B.1
Hourahine, B.2
Frauenheim, T.3
-
59
-
-
0035932162
-
Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
-
M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras Hydrogen bonding and stacking interactions of nucleic acid base pairs: a density-functional-theory based treatment J. Chem. Phys. 114 2001 5149
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
60
-
-
77950183357
-
An improved self-consistent-charge density-functional tight-binding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium
-
G. Dolgonos, B. Aradi, N.H. Moreira, and Th. Frauenheim An improved self-consistent-charge density-functional tight-binding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium J. Chem. Theory Comput. 6 2010 266
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 266
-
-
Dolgonos, G.1
Aradi, B.2
Moreira, N.H.3
Frauenheim, Th.4
-
61
-
-
1842816907
-
Special Points for Brillouin-Zone Integrations
-
H.J. Monkhorst, and J.K. Pack Special Points for Brillouin-Zone Integrations Phys. Rev. B 13 1976 5188
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.K.2
-
63
-
-
84962267029
-
-
These correspond to 3a × 1c for A(101) and (√2a + 2c) ((√2a - 2c) for R(110)
-
These correspond to 3a × 1c for A(101) and (√2a + 2c) ((√2a - 2c) for R(110).
-
-
-
-
69
-
-
84944413635
-
2 surfaces probed by soft X-ray spectroscopies: Bulk materials vs. Isolated nanoparticles
-
15088
-
2 surfaces probed by soft X-ray spectroscopies: Bulk materials vs. isolated nanoparticles Sci. Rep. 5 15088 2015 1
-
(2015)
Sci. Rep.
, vol.5
, pp. 1
-
-
Benkoula, S.1
Sublemontier, O.2
Patanen, M.3
Nicolas, C.4
Sirotti, F.5
Naitabdi, A.6
Gaie-Levrel, F.7
Antonsson, E.8
Aureau, D.9
Ouf, F.X.10
Wada, S.I.11
Etcheberry, A.12
Ueda, K.13
Miron, C.14
-
70
-
-
84934961233
-
Photoelectron spectroscopy study of stoichiometric and reduced anatase TiO2(101) surfaces: The effect of subsurface defects on water adsorption at near-ambient pressures
-
M.J. Jackman, A.G. Thomas, and C. Muryn Photoelectron spectroscopy study of stoichiometric and reduced anatase TiO2(101) surfaces: The effect of subsurface defects on water adsorption at near-ambient pressures J. Phys. Chem. C 119 2015 13682
-
(2015)
J. Phys. Chem. C
, vol.119
, pp. 13682
-
-
Jackman, M.J.1
Thomas, A.G.2
Muryn, C.3
-
72
-
-
0037468932
-
Investigation of the interaction of water and methanol with Anatase (101)
-
G.S. Herman, Z. Dohnalek, N. Ruzycki, and U. Diebold Investigation of the interaction of water and methanol with Anatase (101) J. Phys. Chem. B 107 2003 2788
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 2788
-
-
Herman, G.S.1
Dohnalek, Z.2
Ruzycki, N.3
Diebold, U.4
-
74
-
-
84962268689
-
-
-3) oxygen vacancies, even if annealed at 1000 (C in oxygen: P. Kofstad Non-Stoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides, (Wiley New York, 1972) Chap. 8
-
-3) oxygen vacancies, even if annealed at 1000 (C in oxygen: P. Kofstad, Non-Stoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides, (Wiley New York, 1972) Chap. 8.
-
-
-
-
75
-
-
84963674099
-
Photocatalytic water splitting for solar hydrogen generation: Fundamentals and recent advancements
-
L. Yuan, C. Han, M.Q. Yang, and Y.J. Xu Photocatalytic water splitting for solar hydrogen generation: fundamentals and recent advancements Int. Rev. Phys. Chem. 35 2016 1
-
(2016)
Int. Rev. Phys. Chem.
, vol.35
, pp. 1
-
-
Yuan, L.1
Han, C.2
Yang, M.Q.3
Xu, Y.J.4
|