-
1
-
-
4544235448
-
Photocatalysis on TiO2 Surfaces - Principles, Mechanisms, and Selected Results
-
Linsebigler, A. L.; Lu, G. Q.; Yates, J. T. Photocatalysis on TiO2 Surfaces - Principles, Mechanisms, and Selected Results. Chem. Rev. 1995, 95, 735-758.
-
(1995)
Chem. Rev.
, vol.95
, pp. 735-758
-
-
Linsebigler, A.L.1
Lu, G.Q.2
Yates, J.T.3
-
2
-
-
33748258877
-
A Review and Recent Developments in Photocatalytic Water-Splitting Using for Hydrogen Production
-
Ni, M.; Leung, M. K. H.; Leung, D. Y. C.; Sumathy, K. A Review and Recent Developments in Photocatalytic Water-Splitting Using for Hydrogen Production. Renewable Sustainable Energy Rev. 2007, 11, 401-425.
-
(2007)
Renewable Sustainable Energy Rev.
, vol.11
, pp. 401-425
-
-
Ni, M.1
Leung, M.K.H.2
Leung, D.Y.C.3
Sumathy, K.4
-
3
-
-
79951513799
-
Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals
-
Chen, X.; Liu, L.; Yu, P. Y.; Mao, S. S. Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals. Science 2011, 331, 746-750.
-
(2011)
Science
, vol.331
, pp. 746-750
-
-
Chen, X.1
Liu, L.2
Yu, P.Y.3
Mao, S.S.4
-
4
-
-
84864585798
-
2 Nanocrystals: Comparison of Anatase, Rutile, and Brookite Polymorphs and Exploration of Surface Chemistry
-
2 Nanocrystals: Comparison of Anatase, Rutile, and Brookite Polymorphs and Exploration of Surface Chemistry. ACS Catal. 2012, 2, 1817-1828.
-
(2012)
ACS Catal.
, vol.2
, pp. 1817-1828
-
-
Liu, L.1
Zhao, H.2
Andino, J.M.3
Li, Y.4
-
5
-
-
84863845904
-
2 Single Crystals
-
2 Single Crystals. J. Am. Chem. Soc. 2012, 134, 11276-11281.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 11276-11281
-
-
Wang, W.-N.1
Ramalingam, W.-J.2
Mukherjee, B.3
Niedzwiedzki, S.4
Gangopadhyay, D.M.5
Biswas, S.6
Size, P.7
-
7
-
-
84861860708
-
2 Photocatalysts: Role of Oxygen Vacancies and Iron Dopant
-
2 Photocatalysts: Role of Oxygen Vacancies and Iron Dopant. J. Am. Chem. Soc. 2012, 134, 9369-9375.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 9369-9375
-
-
Wu, Q.1
Van De Krol, R.2
-
8
-
-
0037044671
-
Photocatalytic Degradation of Various Types of Dyes
-
(Alizarin S, Crocein Orange G, Methyl Red, Congo Red, Methylene Blue) in Water by UV-Irradiated Titania.
-
Lachheb, H.; Puzenat, E.; Houas, A.; Ksibi, M.; Elaloui, E.; Guillard, C.; Herrmann, J.-M. Photocatalytic Degradation of Various Types of Dyes (Alizarin S, Crocein Orange G, Methyl Red, Congo Red, Methylene Blue) in Water by UV-Irradiated Titania. Appl. Catal., B 2002, 39, 75-90.
-
(2002)
Appl. Catal., B
, vol.39
, pp. 75-90
-
-
Lachheb, H.1
Puzenat, E.2
Houas, A.3
Ksibi, M.4
Elaloui, E.5
Guillard, C.6
Herrmann, J.-M.7
-
9
-
-
0001451406
-
Heterogeneous Photocatalytic Oxidation of Gas-Phase Organics for Air Purification: Acetone, 1-Butanol, Butyraldehyde, Formaldehyde, and m-Xylene Oxidation
-
Peral, J.; Ollis, D. F. Heterogeneous Photocatalytic Oxidation of Gas-Phase Organics for Air Purification: Acetone, 1-Butanol, Butyraldehyde, Formaldehyde, and m-Xylene Oxidation. J. Catal. 1992, 136, 554-565.
-
(1992)
J. Catal.
, vol.136
, pp. 554-565
-
-
Peral, J.1
Ollis, D.F.2
-
10
-
-
27744503216
-
Visible Light Induced Photocatalytic Degradation of Organic Pollutants
-
Chatterjee, D.; Dasgupta, S. Visible Light Induced Photocatalytic Degradation of Organic Pollutants. J. Photochem. Photobiol., C 2005, 6, 186-205.
-
(2005)
J. Photochem. Photobiol., C
, vol.6
, pp. 186-205
-
-
Chatterjee, D.1
Dasgupta, S.2
-
12
-
-
0027233006
-
Inactivation of Escherichia-Coli by Titanium-Dioxide Photocatalytic Oxidation
-
Ireland, J. C.; Klostermann, P.; Rice, E. W.; Clark, R. M. Inactivation of Escherichia-Coli by Titanium-Dioxide Photocatalytic Oxidation. Appl. Environ. Microbiol. 1993, 59, 1668-1670.
-
(1993)
Appl. Environ. Microbiol.
, vol.59
, pp. 1668-1670
-
-
Ireland, J.C.1
Klostermann, P.2
Rice, E.W.3
Clark, R.M.4
-
13
-
-
0000991741
-
The Role of Oxygen in Photooxidation of Organic-Molecules on Semiconductor Particles
-
Gerischer, H.; Heller, A. The Role of Oxygen in Photooxidation of Organic-Molecules on Semiconductor Particles. J. Phys. Chem. 1991, 95, 5261-5267.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5261-5267
-
-
Gerischer, H.1
Heller, A.2
-
14
-
-
0039129509
-
Environmental Applications of Semiconductor Photocatalysis
-
Hoffmann, M. R.; Martin, S. T.; Choi, W. Y.; Bahnemann, D. W. Environmental Applications of Semiconductor Photocatalysis. Chem. Rev. 1995, 95, 69-96.
-
(1995)
Chem. Rev.
, vol.95
, pp. 69-96
-
-
Hoffmann, M.R.1
Martin, S.T.2
Choi, W.Y.3
Bahnemann, D.W.4
-
18
-
-
78049416010
-
2 Photocatalysts Using Atomic Layer Deposition
-
2 Photocatalysts Using Atomic Layer Deposition. Appl. Catal., B 2010, 101, 54-60.
-
(2010)
Appl. Catal., B
, vol.101
, pp. 54-60
-
-
Zhou, Y.1
King, D.M.2
Liang, X.H.3
Li, J.H.4
Weimer, A.W.5
-
19
-
-
0347657524
-
Photocatalytic Performance of Pt-Loaded Tio2 in the Decomposition of Gaseous Ozone
-
Cho, K. C.; Hwang, K. C.; Sano, T.; Takeuchi, K.; Matsuzawa, S. Photocatalytic Performance of Pt-Loaded Tio2 in the Decomposition of Gaseous Ozone. J. Photochem. Photobiol., A 2004, 161, 155-161.
-
(2004)
J. Photochem. Photobiol., A
, vol.161
, pp. 155-161
-
-
Cho, K.C.1
Hwang, K.C.2
Sano, T.3
Takeuchi, K.4
Matsuzawa, S.5
-
21
-
-
33847339211
-
The Effect of Platinum and Silver Deposits in the Photocatalytic Oxidation of Resorcinol
-
Lam, S.; et al. The Effect of Platinum and Silver Deposits in the Photocatalytic Oxidation of Resorcinol. Appl. Catal., B 2007, 72, 363-372.
-
(2007)
Appl. Catal., B
, vol.72
, pp. 363-372
-
-
Lam, S.1
-
22
-
-
0036707787
-
The Enhancement of Photodegradation Efficiency Using Pt-TiO2 Catalyst
-
Li, F. B.; Li, X. Z. The Enhancement of Photodegradation Efficiency Using Pt-TiO2 Catalyst. Chemosphere 2002, 48, 1103-1111.
-
(2002)
Chemosphere
, vol.48
, pp. 1103-1111
-
-
Li, F.B.1
Li, X.Z.2
-
24
-
-
78650265094
-
The Effects of Pt Doping on the Structure and Visible Light Photoactivity of Titania Nanotubes
-
Gray, K. A.; Vijayan, B. K.; Dimitrijevic, N. M.; Wu, J. S. The Effects of Pt Doping on the Structure and Visible Light Photoactivity of Titania Nanotubes. J. Phys. Chem. C 2010, 114, 21262-21269.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 21262-21269
-
-
Gray, K.A.1
Vijayan, B.K.2
Dimitrijevic, N.M.3
Wu, J.S.4
-
27
-
-
84870681220
-
2 Photocatalysts for Methanol Reforming: Role of Metal Nanoparticles in Tuning Charge Trapping Properties and Photoefficiency
-
2 Photocatalysts for Methanol Reforming: Role of Metal Nanoparticles in Tuning Charge Trapping Properties and Photoefficiency. Appl. Catal., B 2013, 130-131, 239-248.
-
(2013)
Appl. Catal., B
, vol.130-131
, pp. 239-248
-
-
Naldoni, A.1
D'Arienzo, M.2
Altomare, M.3
Marelli, M.4
Scotti, R.5
Morazzoni, F.6
Selli, E.7
Dal Santo, V.8
-
28
-
-
33745565777
-
Effects of Boron Doping on Photocatalytic Activity and Microstructure of Titanium Dioxide Nanoparticles
-
Chen, D.; Yang, D.; Wang, Q.; Jiang, Z. Effects of Boron Doping on Photocatalytic Activity and Microstructure of Titanium Dioxide Nanoparticles. Ind. Eng. Chem. Res. 2006, 45, 4110-4116.
-
(2006)
Ind. Eng. Chem. Res.
, vol.45
, pp. 4110-4116
-
-
Chen, D.1
Yang, D.2
Wang, Q.3
Jiang, Z.4
-
31
-
-
36148980795
-
2 Photocatalysts
-
2 Photocatalysts. J. Am. Chem. Soc. 2007, 129, 13790-13791.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 13790-13791
-
-
In, S.1
Orlov, A.2
Berg, R.3
García, F.4
Pedrosa-Jimenez, S.5
Tikhov, M.S.6
Wright, D.S.7
Lambert, R.M.8
-
32
-
-
33845455618
-
Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light
-
Livraghi, S.; Paganini, M. C.; Giamello, E.; Selloni, A.; Di Valentin, C.; Pacchioni, G. Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light. J. Am. Chem. Soc. 2006, 128, 15666-15671.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 15666-15671
-
-
Livraghi, S.1
Paganini, M.C.2
Giamello, E.3
Selloni, A.4
Di Valentin, C.5
Pacchioni, G.6
-
33
-
-
84877035835
-
2:(Nb,N)-X Compounds on the Rate of Photocatalytic Methylene Blue Dye Degradation
-
2:(Nb,N)-X Compounds on the Rate of Photocatalytic Methylene Blue Dye Degradation. J. Phys. Chem. C 2013, 117, 8611-8618.
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 8611-8618
-
-
Breault, T.M.1
Bartlett, B.M.2
-
35
-
-
0035848746
-
2 Photocatalyst and Its Photooxidation of Ethanol
-
2 Photocatalyst and Its Photooxidation of Ethanol. J. Phys. Chem. B 2001, 105, 2815-2819.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 2815-2819
-
-
Klosek, S.1
Raftery, D.2
-
36
-
-
84880839892
-
Immobilized Fe(III)-Doped Titanium Dioxide for Photodegradation of Dissolved Organic Compounds in Water
-
Mwangi, I.; Ngila, J. C.; Ndungu, P.; Msagati, T. M.; Kamau, J. Immobilized Fe(III)-Doped Titanium Dioxide for Photodegradation of Dissolved Organic Compounds in Water. Environ. Sci. Pollut Res. 2013, 20, 6028-6038.
-
(2013)
Environ. Sci. Pollut Res.
, vol.20
, pp. 6028-6038
-
-
Mwangi, I.1
Ngila, J.C.2
Ndungu, P.3
Msagati, T.M.4
Kamau, J.5
-
37
-
-
33846043147
-
Is the Band Gap of Pristine Tio2 Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts?
-
Serpone, N. Is the Band Gap of Pristine Tio2 Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts? J. Phys. Chem. B 2006, 110, 24287-24293.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 24287-24293
-
-
Serpone, N.1
-
39
-
-
75249101628
-
2: Water on Anatase (101)
-
2: Water on Anatase (101). J. Phys. Chem. C 2010, 114, 1278-1284.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 1278-1284
-
-
Aschauer, U.1
He, Y.B.2
Cheng, H.Z.3
Li, S.C.4
Diebold, U.5
Selloni, A.6
-
42
-
-
80053893577
-
Stabilization of Supported Metal Nanoparticles Using an Ultrathin Porous Shell
-
Liang, X.; Li, J.; Yu, M.; McMurray, C. N.; Falconer, J. L.; Weimer, A. W. Stabilization of Supported Metal Nanoparticles Using an Ultrathin Porous Shell. ACS Catal. 2011, 1, 1162-1165.
-
(2011)
ACS Catal.
, vol.1
, pp. 1162-1165
-
-
Liang, X.1
Li, J.2
Yu, M.3
McMurray, C.N.4
Falconer, J.L.5
Weimer, A.W.6
-
43
-
-
70349342816
-
2(B)) Nanoarchitecture
-
2(B)) Nanoarchitecture. J. Mater. Chem. 2009, 19, 7055-7061.
-
(2009)
J. Mater. Chem.
, vol.19
, pp. 7055-7061
-
-
Bai, Y.1
Li, W.2
Liu, C.3
Yang, Z.4
Feng, X.5
Lu, X.6
Chan, K.-Y.7
-
45
-
-
36148980795
-
2 Photocatalysts
-
2 Photocatalysts. J. Am. Chem. Soc. 2007, 129, 13790-+.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 13790
-
-
In, S.1
Orlov, A.2
Berg, R.3
Garcia, F.4
Pedrosa-Jimenez, S.5
Tikhov, M.S.6
Wright, D.S.7
Lambert, R.M.8
-
46
-
-
33845680246
-
2
-
2. Appl. Catal., B 2007, 69, 138-144.
-
(2007)
Appl. Catal., B
, vol.69
, pp. 138-144
-
-
Ren, W.J.1
Ai, Z.H.2
Jia, F.L.3
Zhang, L.Z.4
Fan, X.X.5
Zou, Z.G.6
-
47
-
-
53149153867
-
2 Nanoparticle Based Visible Light Photocatalyst by Modified Peroxide Sol- Gel Method
-
2 Nanoparticle Based Visible Light Photocatalyst by Modified Peroxide Sol- Gel Method. J. Phys. Chem. C 2008, 112, 14595-14602.
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 14595-14602
-
-
Jagadale, T.C.1
Takale, S.P.2
Sonawane, R.S.3
Joshi, H.M.4
Patil, S.I.5
Kale, B.B.6
Ogale, S.B.7
-
48
-
-
2342503731
-
2 Photocatalysts and Their Photocatalytic Activities under Visible Light
-
2 Photocatalysts and Their Photocatalytic Activities under Visible Light. Appl. Catal., A 2004, 265, 115-121.
-
(2004)
Appl. Catal., A
, vol.265
, pp. 115-121
-
-
Ohno, T.1
Akiyoshi, M.2
Umebayashi, T.3
Asai, K.4
Mitsui, T.5
Matsumura, M.6
-
49
-
-
54249124140
-
State of Doped Phosphorus and Its Influence on the Physicochemical and Photocatalytic Properties of P-Doped Titania
-
Zheng, R. Y.; Lin, L.; Xie, J. L.; Zhu, Y. X.; Me, Y. C. State of Doped Phosphorus and Its Influence on the Physicochemical and Photocatalytic Properties of P-Doped Titania. J. Phys. Chem. C 2008, 112, 15502-15509.
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 15502-15509
-
-
Zheng, R.Y.1
Lin, L.2
Xie, J.L.3
Zhu, Y.X.4
Me, Y.C.5
-
50
-
-
77953212054
-
2 Photocatalyst with Metals, Nonmetals and Metal Oxides
-
2 Photocatalyst with Metals, Nonmetals and Metal Oxides. Energy Environ. Sci. 2010, 3, 715-726.
-
(2010)
Energy Environ. Sci.
, vol.3
, pp. 715-726
-
-
Zhang, J.L.1
Wu, Y.M.2
Xing, M.Y.3
Leghari, S.A.K.4
Sajjad, S.5
-
51
-
-
77957071506
-
2
-
2. Energy Environ. Sci. 2010, 3, 1128-1134.
-
(2010)
Energy Environ. Sci.
, vol.3
, pp. 1128-1134
-
-
Xu, P.1
Xu, T.2
Lu, J.3
Gao, S.M.4
Hosmane, N.S.5
Huang, B.B.6
Dai, Y.7
Wang, Y.B.8
-
54
-
-
79951519448
-
2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study
-
2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study. J. Phys. Chem. C 2011, 115, 2709-2719.
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 2709-2719
-
-
Feng, N.1
Zheng, A.2
Wang, Q.3
Ren, P.4
Gao, X.5
Liu, S.-B.6
Shen, Z.7
Chen, T.8
Deng, F.9
-
55
-
-
0035854541
-
Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides
-
Asahi, R.; Morikawa, T.; Ohwaki, T.; Aoki, K.; Taga, Y. Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides. Science 2001, 293, 269-271.
-
(2001)
Science
, vol.293
, pp. 269-271
-
-
Asahi, R.1
Morikawa, T.2
Ohwaki, T.3
Aoki, K.4
Taga, Y.5
-
56
-
-
0037042558
-
Investigations of Metal-Doped Titanium Dioxide Photocatalysts
-
Dvoranová, D.; Brezová, V.; Mazúr, M.; Malati, M. A. Investigations of Metal-Doped Titanium Dioxide Photocatalysts. Appl. Catal., B 2002, 37, 91-105.
-
(2002)
Appl. Catal., B
, vol.37
, pp. 91-105
-
-
Dvoranová, D.1
Brezová, V.2
Mazúr, M.3
Malati, M.A.4
-
57
-
-
0030598810
-
Photocatalytic Properties of Iron- Doped Titania Semiconductors
-
Litter, M. I.; Navío, J. A. Photocatalytic Properties of Iron- Doped Titania Semiconductors. J. Photochem. Photobiol., A 1996, 98, 171-181.
-
(1996)
J. Photochem. Photobiol., A
, vol.98
, pp. 171-181
-
-
Litter, M.I.1
Navío, J.A.2
-
59
-
-
33750949392
-
2 - Correlation between Photoreactivity and Charge-Carrier Recombination Dynamics
-
2 - Correlation between Photoreactivity and Charge-Carrier Recombination Dynamics. J. Phys. Chem. 1994, 98, 13669-13679.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 13669-13679
-
-
Choi, W.Y.1
Termin, A.2
Hoffmann, M.R.3
-
61
-
-
34447106794
-
2 Doped with Boron and Vanadium
-
2 Doped with Boron and Vanadium. J. Hazard. Mater. 2007, 146, 529-534.
-
(2007)
J. Hazard. Mater.
, vol.146
, pp. 529-534
-
-
Bettinelli, M.1
Dallacasa, V.2
Falcomer, D.3
Fornasiero, P.4
Gombac, V.5
Montini, T.6
Romanò, L.7
Speghini, A.8
-
63
-
-
84870391688
-
Kinetics and Mechanisms of Charge Transfer Processes in Photocatalytic Systems: A Review
-
Zhang, L.; Mohamed, H. H.; Dillert, R.; Bahnemann, D. Kinetics and Mechanisms of Charge Transfer Processes in Photocatalytic Systems: A Review. J. Photochem. Photobiol., C 2012, 13, 263-276.
-
(2012)
J. Photochem. Photobiol., C
, vol.13
, pp. 263-276
-
-
Zhang, L.1
Mohamed, H.H.2
Dillert, R.3
Bahnemann, D.4
-
64
-
-
84860249088
-
Ab Initio Approach to the Rate of Radiative Electron Trapping and Electron-Hole Recombination in B-, C-, and N-Doped Anatase
-
Zhukov, V. P.; Chulkov, E. V. Ab Initio Approach to the Rate of Radiative Electron Trapping and Electron-Hole Recombination in B-, C-, and N-Doped Anatase. Phys. Status Solidi B 2012, 249, 1063-1071.
-
(2012)
Phys. Status Solidi B
, vol.249
, pp. 1063-1071
-
-
Zhukov, V.P.1
Chulkov, E.V.2
-
65
-
-
33846820284
-
2 Photocatalysts
-
2 Photocatalysts. Appl. Surf. Sci. 2007, 253, 4390-4395.
-
(2007)
Appl. Surf. Sci.
, vol.253
, pp. 4390-4395
-
-
Xin, B.F.1
Ren, Z.Y.2
Wang, P.3
Liu, J.4
Jing, L.Q.5
Fu, H.G.6
-
66
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
67
-
-
0000211878
-
Electron Correlations in Narrow Energy Bands
-
Hubbard, J. Electron Correlations in Narrow Energy Bands. Proc. R. Soc. London, Ser. A 1963, 276, 238-+.
-
(1963)
Proc. R. Soc. London, Ser. A
, vol.276
, pp. 238
-
-
Hubbard, J.1
-
68
-
-
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
-
69
-
-
79953702284
-
Choice of U for DFT+U Calculations for Titanium Oxides
-
Hu, Z.; Metiu, H. Choice of U for DFT+U Calculations for Titanium Oxides. J. Phys. Chem. C 2011, 115, 5841-5845.
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 5841-5845
-
-
Hu, Z.1
Metiu, H.2
-
70
-
-
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
-
71
-
-
33947658923
-
Improved Grid-Based Algorithm for Bader Charge Allocation
-
Sanville, E.; Kenny, S. D.; Smith, R.; Henkelman, G. Improved Grid-Based Algorithm for Bader Charge Allocation. J. Comput. Chem. 2007, 28, 899-908.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 899-908
-
-
Sanville, E.1
Kenny, S.D.2
Smith, R.3
Henkelman, G.4
-
72
-
-
0037080586
-
2 (110) as a Function of Oxygen Pressure
-
2 (110) as a Function of Oxygen Pressure. Phys. Rev. B 2001, 65, 035406.
-
(2001)
Phys. Rev. B
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
-
76
-
-
84883075506
-
2 Anatase (101)
-
2 Anatase (101). Science 2013, 341, 988-991.
-
(2013)
Science
, vol.341
, pp. 988-991
-
-
Setvin, M.1
Aschauer, U.2
Scheiber, P.3
Li, Y.F.4
Hou, W.Y.5
Schmid, M.6
Selloni, A.7
Diebold, U.8
-
79
-
-
30744457852
-
Theory of Carbon Doping of Titanium Dioxide
-
Di Valentin, C.; Pacchioni, G.; Selloni, A. Theory of Carbon Doping of Titanium Dioxide. Chem. Mater. 2005, 17, 6656-6665.
-
(2005)
Chem. Mater.
, vol.17
, pp. 6656-6665
-
-
Di Valentin, C.1
Pacchioni, G.2
Selloni, A.3
-
81
-
-
34748835348
-
2: Theory and Experiment
-
2: Theory and Experiment. Chem. Phys. 2007, 339, 44-56.
-
(2007)
Chem. Phys.
, vol.339
, pp. 44-56
-
-
Di Valentin, C.1
Finazzi, E.2
Pacchioni, G.3
Selloni, A.4
Livraghi, S.5
Paganini, M.C.6
Giamello, E.7
-
82
-
-
82055197100
-
Vesta 3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data
-
Momma, K.; Izumi, F. Vesta 3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data. J. Appl. Crystallogr. 2011, 44, 1272-1276.
-
(2011)
J. Appl. Crystallogr.
, vol.44
, pp. 1272-1276
-
-
Momma, K.1
Izumi, F.2
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