-
1
-
-
35348875044
-
Electrochemical Photolysis of Water at a Semiconductor Electrode
-
Fujishima, A.; Honda, K. Electrochemical Photolysis of Water at a Semiconductor Electrode Nature 1972, 238, 37
-
(1972)
Nature
, vol.238
, pp. 37
-
-
Fujishima, A.1
Honda, K.2
-
2
-
-
0035891138
-
Photoelectrochemical Cells
-
Gratzel, M. Photoelectrochemical Cells Nature 2001, 414, 338-344
-
(2001)
Nature
, vol.414
, pp. 338-344
-
-
Gratzel, M.1
-
3
-
-
78449269648
-
Introduction to Solar Photon Conversion
-
Nozik, A. J.; Miller, J. Introduction to Solar Photon Conversion Chem. Rev. 2010, 110, 6443-6445
-
(2010)
Chem. Rev.
, vol.110
, pp. 6443-6445
-
-
Nozik, A.J.1
Miller, J.2
-
4
-
-
78449289476
-
Solar Water Splitting Cells
-
Walter, M. G.; Warren, E. L.; McKone, J. R.; Boettcher, S. W.; Mi, Q.; Santori, E. A.; Lewis, N. S. Solar Water Splitting Cells Chem. Rev. 2010, 110, 6446-6473
-
(2010)
Chem. Rev.
, vol.110
, pp. 6446-6473
-
-
Walter, M.G.1
Warren, E.L.2
McKone, J.R.3
Boettcher, S.W.4
Mi, Q.5
Santori, E.A.6
Lewis, N.S.7
-
5
-
-
78449288259
-
Semiconductor-Based Photocatalytic Hydrogen Generation
-
Chen, X.; Shen, S.; Guo, L.; Mao, S. S. Semiconductor-Based Photocatalytic Hydrogen Generation Chem. Rev. 2010, 110, 6503-6570
-
(2010)
Chem. Rev.
, vol.110
, pp. 6503-6570
-
-
Chen, X.1
Shen, S.2
Guo, L.3
Mao, S.S.4
-
6
-
-
69249148726
-
Combinatorial Synthesis and High-Throughput Photopotential and Photocurrent Screening of Mixed-Metal Oxides for Photoelectrochemical Water Splitting
-
Katz, J. E.; Gingrich, T. R.; Santori, E. A.; Lewis, N. S. Combinatorial Synthesis and High-Throughput Photopotential and Photocurrent Screening of Mixed-Metal Oxides for Photoelectrochemical Water Splitting Energy Environ. Sci. 2009, 2, 103-112
-
(2009)
Energy Environ. Sci.
, vol.2
, pp. 103-112
-
-
Katz, J.E.1
Gingrich, T.R.2
Santori, E.A.3
Lewis, N.S.4
-
8
-
-
77649138921
-
2 and Other Photocatalysts: A Simple and Practical Way Towards a Normalization
-
2 and Other Photocatalysts: A Simple and Practical Way Towards a Normalization Angew. Chem., Int. Ed. 2010, 49, 1536-1539
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 1536-1539
-
-
Maschmeyer, T.1
Che, M.2
-
9
-
-
54749088234
-
Nanoporous-Walled Tungsten Oxide Nanotubes As Highly Active Visible-Light-Driven Photocatalysts
-
Zhao, Z.-G.; Miyauchi, M. Nanoporous-Walled Tungsten Oxide Nanotubes As Highly Active Visible-Light-Driven Photocatalysts Angew. Chem., Int. Ed. 2008, 47, 7051-7055
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 7051-7055
-
-
Zhao, Z.-G.1
Miyauchi, M.2
-
10
-
-
60749120290
-
3 Hierarchical Nanostructures: Controllable Synthesis, Growth Mechanism, and Their Application in Photocatalysis
-
3 Hierarchical Nanostructures: Controllable Synthesis, Growth Mechanism, and Their Application in Photocatalysis Chem.-Eur. J. 2009, 15, 1776-1782
-
(2009)
Chem.-Eur. J.
, vol.15
, pp. 1776-1782
-
-
Zhou, L.1
Wang, W.2
Xu, H.3
Sun, S.4
Shang, M.5
-
11
-
-
33750938469
-
2 Photocatalysis in Hydrogen Production from Water-Methanol Solution
-
2 Photocatalysis in Hydrogen Production from Water-Methanol Solution J. Photochem. Photobiol., A 2006, 184, 306-312
-
(2006)
J. Photochem. Photobiol., A
, vol.184
, pp. 306-312
-
-
Ikeda, M.1
Kusumoto, Y.2
Somekawa, S.3
Ngweniform, P.4
Ahmmad, B.5
-
12
-
-
0442310431
-
Combinatorial Electrochemical Synthesis and Screening of Mesoporous ZnO for Photocatalysis
-
Jaramillo, T. F.; Baeck, S. H.; Kleiman-Shwarsctein, A.; McFarland, E. W. Combinatorial Electrochemical Synthesis and Screening of Mesoporous ZnO for Photocatalysis Macromol. Rapid Commun. 2004, 25, 297-301
-
(2004)
Macromol. Rapid Commun.
, vol.25
, pp. 297-301
-
-
Jaramillo, T.F.1
Baeck, S.H.2
Kleiman-Shwarsctein, A.3
McFarland, E.W.4
-
13
-
-
79952154657
-
3: Phase-Selective Synthesis and Application in Photocatalysis
-
3: Phase-Selective Synthesis and Application in Photocatalysis CrystEngComm 2011, 13, 1843-1850
-
(2011)
CrystEngComm
, vol.13
, pp. 1843-1850
-
-
Qiu, Y.1
Yang, M.2
Fan, H.3
Zuo, Y.4
Shao, Y.5
Xu, Y.6
Yang, X.7
Yang, S.8
-
14
-
-
84859986239
-
Water Splitting by Tungsten Oxide Prepared by Atomic Layer Deposition and Decorated with an Oxygen-Evolving Catalyst
-
Liu, R.; Lin, Y.; Chou, L.-Y.; Sheehan, S. W.; He, W.; Zhang, F.; Hou, H. J.; Wang, D. Water Splitting by Tungsten Oxide Prepared by Atomic Layer Deposition and Decorated with an Oxygen-Evolving Catalyst Angew. Chem., Int. Ed. 2011, 123, 519-522
-
(2011)
Angew. Chem., Int. Ed.
, vol.123
, pp. 519-522
-
-
Liu, R.1
Lin, Y.2
Chou, L.-Y.3
Sheehan, S.W.4
He, W.5
Zhang, F.6
Hou, H.J.7
Wang, D.8
-
15
-
-
0036778705
-
Photo-Electrochemical Hydrogen Generation from Water Using Solar Energy. Materials-Related Aspects
-
Bak, T.; Nowotny, J.; Rekas, M.; Sorrell, C. C. Photo-Electrochemical Hydrogen Generation from Water Using Solar Energy. Materials-Related Aspects Int. J. Hydrogen Energy 2002, 27, 991-1022
-
(2002)
Int. J. Hydrogen Energy
, vol.27
, pp. 991-1022
-
-
Bak, T.1
Nowotny, J.2
Rekas, M.3
Sorrell, C.C.4
-
17
-
-
34548512249
-
Heterogeneous Photocatalysis: From Water Photolysis to Applications in Environmental Cleanup
-
International Conference on Materials for Hydrogen Energy: Solar Hydrogen (ICMHE 2004)
-
Fujishima, A.; Zhang, X.; Tryk, D. A. Heterogeneous Photocatalysis: From Water Photolysis to Applications in Environmental Cleanup Int. J. Hydrogen Energy 2007, 32, 2664-2672 International Conference on Materials for Hydrogen Energy: Solar Hydrogen (ICMHE 2004).
-
(2007)
Int. J. Hydrogen Energy
, vol.32
, pp. 2664-2672
-
-
Fujishima, A.1
Zhang, X.2
Tryk, D.A.3
-
18
-
-
77956851273
-
-
(technical report); Directed Technologies Inc. Department of Energy: Youngstown, OH
-
James, B. D.; Baum, G. N.; Perez, J.; Baum, K. N.; Square, O. V. Technoeconomic Analysis of Photoelectrochemical (PEC) Hydrogen Production (technical report); Directed Technologies Inc., Department of Energy: Youngstown, OH, 2009.
-
(2009)
Technoeconomic Analysis of Photoelectrochemical (PEC) Hydrogen Production
-
-
James, B.D.1
Baum, G.N.2
Perez, J.3
Baum, K.N.4
Square, O.V.5
-
19
-
-
84883008345
-
Technical and Economic Feasibility of Centralized Facilities for Solar Hydrogen Production Via Photocatalysis and Photoelectrochemistry
-
Pinaud, B. A.; Benck, J. D.; Seitz, L. C.; Forman, A. J.; Chen, Z.; Deutsch, T. G.; James, B. D.; Baum, K. N.; Baum, G. N.; Ardo, S. Technical and Economic Feasibility of Centralized Facilities for Solar Hydrogen Production Via Photocatalysis and Photoelectrochemistry Energy Environ. Sci. 2013, 6, 1983-2002
-
(2013)
Energy Environ. Sci.
, vol.6
, pp. 1983-2002
-
-
Pinaud, B.A.1
Benck, J.D.2
Seitz, L.C.3
Forman, A.J.4
Chen, Z.5
Deutsch, T.G.6
James, B.D.7
Baum, K.N.8
Baum, G.N.9
Ardo, S.10
-
20
-
-
84882713914
-
Net Primary Energy Balance of a Solar-Driven Photoelectrochemical Water-Splitting Device
-
Zhai, P.; Haussener, S.; Ager, J.; Sathre, R.; Walczak, K.; Greenblatt, J.; McKone, T. Net Primary Energy Balance of a Solar-Driven Photoelectrochemical Water-Splitting Device Energy Environ. Sci. 2013, 6, 2380-2389
-
(2013)
Energy Environ. Sci.
, vol.6
, pp. 2380-2389
-
-
Zhai, P.1
Haussener, S.2
Ager, J.3
Sathre, R.4
Walczak, K.5
Greenblatt, J.6
McKone, T.7
-
21
-
-
84895067493
-
Two-Dimensional Nanosheets for Photoelectrochemical Water Splitting: Possibilities and Opportunities
-
Zhou, M.; Lou, X. W.; Xie, Y. Two-Dimensional Nanosheets for Photoelectrochemical Water Splitting: Possibilities and Opportunities Nano Today 2013, 8, 598-618
-
(2013)
Nano Today
, vol.8
, pp. 598-618
-
-
Zhou, M.1
Lou, X.W.2
Xie, Y.3
-
22
-
-
79954600047
-
Recent Progress on Photocatalytic and Photoelectrochemical Water Splitting under Visible Light Irradiation
-
Abe, R. Recent Progress on Photocatalytic and Photoelectrochemical Water Splitting Under Visible Light Irradiation J. Photochem. Photobiol. C 2010, 11, 179-209
-
(2010)
J. Photochem. Photobiol. C
, vol.11
, pp. 179-209
-
-
Abe, R.1
-
23
-
-
79955625924
-
Semiconductor Nanostructure-Based Photoelectrochemical Water Splitting: A Brief Review
-
Lin, Y.; Yuan, G.; Liu, R.; Zhou, S.; Sheehan, S. W.; Wang, D. Semiconductor Nanostructure-Based Photoelectrochemical Water Splitting: A Brief Review Chem. Phys. Lett. 2011, 507, 209-215
-
(2011)
Chem. Phys. Lett.
, vol.507
, pp. 209-215
-
-
Lin, Y.1
Yuan, G.2
Liu, R.3
Zhou, S.4
Sheehan, S.W.5
Wang, D.6
-
24
-
-
33746898129
-
Efficiency of Solar Water Splitting Using Semiconductor Electrodes
-
Murphy, A.; Barnes, P.; Randeniya, L.; Plumb, I.; Grey, I.; Horne, M.; Glasscock, J. Efficiency of Solar Water Splitting Using Semiconductor Electrodes Int. J. Hydrogen Energy 2006, 31, 1999-2017
-
(2006)
Int. J. Hydrogen Energy
, vol.31
, pp. 1999-2017
-
-
Murphy, A.1
Barnes, P.2
Randeniya, L.3
Plumb, I.4
Grey, I.5
Horne, M.6
Glasscock, J.7
-
25
-
-
84875825798
-
Graphene-Like Two-Dimensional Materials
-
Xu, M.; Liang, T.; Shi, M.; Chen, H. Graphene-Like Two-Dimensional Materials Chem. Rev. 2013, 113, 3766-3798
-
(2013)
Chem. Rev.
, vol.113
, pp. 3766-3798
-
-
Xu, M.1
Liang, T.2
Shi, M.3
Chen, H.4
-
27
-
-
84867304039
-
A Roadmap for Graphene
-
Novoselov, K. S.; Falko, V. I.; Colombo, L.; Gellert, P. R.; Schwab, M. G.; Kim, K. A Roadmap for Graphene Nature 2012, 490, 192-200
-
(2012)
Nature
, vol.490
, pp. 192-200
-
-
Novoselov, K.S.1
Falko, V.I.2
Colombo, L.3
Gellert, P.R.4
Schwab, M.G.5
Kim, K.6
-
28
-
-
23044442056
-
Two-Dimensional Atomic Crystals
-
Novoselov, K. S.; Jiang, D.; Schedin, F.; Booth, T. J.; Khotkevich, V. V.; Morozov, S. V.; Geim, A. K. Two-Dimensional Atomic Crystals Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 10451-10453
-
(2005)
Proc. Natl. Acad. Sci. U.S.A.
, vol.102
, pp. 10451-10453
-
-
Novoselov, K.S.1
Jiang, D.2
Schedin, F.3
Booth, T.J.4
Khotkevich, V.V.5
Morozov, S.V.6
Geim, A.K.7
-
29
-
-
77950519205
-
Production, Properties and Potential of Graphene
-
Soldano, C.; Mahmood, A.; Dujardin, E. Production, Properties and Potential of Graphene Carbon 2010, 48, 2127-2150
-
(2010)
Carbon
, vol.48
, pp. 2127-2150
-
-
Soldano, C.1
Mahmood, A.2
Dujardin, E.3
-
30
-
-
84865406260
-
S. W. Freestanding Tin Disulfide Single-Layers Realizing Efficient Visible-Light Water Splitting
-
Sun, Y.; Cheng, H.; Gao, S.; Sun, Z.; Liu, Q.; Liu, Q.; Lei, F.; Yao, T.; He, J. S. W. Freestanding Tin Disulfide Single-Layers Realizing Efficient Visible-Light Water Splitting Angew. Chem., Int. Ed. 2012, 51, 8727-8731
-
(2012)
Angew. Chem., Int. Ed.
, vol.51
, pp. 8727-8731
-
-
Sun, Y.1
Cheng, H.2
Gao, S.3
Sun, Z.4
Liu, Q.5
Liu, Q.6
Lei, F.7
Yao, T.8
He, J.9
-
31
-
-
84866979739
-
S. W. Fabrication of Flexible and Freestanding Zinc Chalcogenide Single Layers
-
Sun, Y.; Sun, Z.; Gao, S.; Cheng, H.; Liu, Q.; Piao, J.; Yao, T.; Wu, C.; Hu, S. S. W. Fabrication of Flexible and Freestanding Zinc Chalcogenide Single Layers Nat. Commun. 2012, 3, 1057
-
(2012)
Nat. Commun.
, vol.3
, pp. 1057
-
-
Sun, Y.1
Sun, Z.2
Gao, S.3
Cheng, H.4
Liu, Q.5
Piao, J.6
Yao, T.7
Wu, C.8
Hu, S.9
-
32
-
-
84883187888
-
2 Nanosheets for Hydrogen Evolution
-
2 Nanosheets for Hydrogen Evolution Nat. Mater. 2013, 12, 850-855
-
(2013)
Nat. Mater.
, vol.12
, pp. 850-855
-
-
Voiry, D.1
Yamaguchi, H.2
Li, J.3
Silva, R.4
Alves, D.C.B.5
Fujita, T.6
Chen, M.7
Asefa, T.8
Shenoy, V.B.9
-
33
-
-
84891852132
-
All-Surface-Atomic-Metal Chalcogenide Sheets for High-Efficiency Visible-Light Photoelectrochemical Water Splitting
-
Sun, Y.; Sun, Z.; Gao, S.; Cheng, H.; Liu, Q.; Lei, F.; Wei, S.; Xie, Y. All-Surface-Atomic-Metal Chalcogenide Sheets for High-Efficiency Visible-Light Photoelectrochemical Water Splitting Adv. Eng. Mater. 2014, 4, 1300611
-
(2014)
Adv. Eng. Mater.
, vol.4
, pp. 1300611
-
-
Sun, Y.1
Sun, Z.2
Gao, S.3
Cheng, H.4
Liu, Q.5
Lei, F.6
Wei, S.7
Xie, Y.8
-
34
-
-
84884844716
-
Synthesis of Ultrathin CdS Nanosheets As Efficient Visible-Light-Driven Water Splitting Photocatalysts for Hydrogen Evolution
-
Xu, Y.; Zhao, W.; Xu, R.; Shi, Y.; Zhang, B. Synthesis of Ultrathin CdS Nanosheets As Efficient Visible-Light-Driven Water Splitting Photocatalysts for Hydrogen Evolution Chem. Commun. 2013, 49, 9803-9805
-
(2013)
Chem. Commun.
, vol.49
, pp. 9803-9805
-
-
Xu, Y.1
Zhao, W.2
Xu, R.3
Shi, Y.4
Zhang, B.5
-
35
-
-
84902842551
-
Free-Floating Ultrathin Tin Monoxide Sheets for Solar-Driven Photoelectrochemical Water Splitting
-
Liang, L.; Sun, Y.; Lei, F.; Gao, S.; Xie, Y. Free-Floating Ultrathin Tin Monoxide Sheets for Solar-Driven Photoelectrochemical Water Splitting J. Mater. Chem. A 2014, 2, 10647-10653
-
(2014)
J. Mater. Chem. A
, vol.2
, pp. 10647-10653
-
-
Liang, L.1
Sun, Y.2
Lei, F.3
Gao, S.4
Xie, Y.5
-
36
-
-
84925233724
-
G173-03. Standard Tables for Reference Solar Spectral Irradiances: Direct Normal and Hemispherical on 37° Tilted Surface
-
ASTM. Volume; ASTM International: West Conshohocken, PA
-
ASTM G173-03. Standard Tables for Reference Solar Spectral Irradiances: Direct Normal and Hemispherical on 37° Tilted Surface. Book of Standards, Volume 14.04; ASTM International: West Conshohocken, PA, 2012; http://www.astm.org/Standards/G173.htm.
-
(2012)
Book of Standards
, vol.1404
-
-
-
37
-
-
70450064260
-
Nature and Strength of Interlayer Binding in Graphite
-
Spanu, L.; Sorella, S.; Galli, G. Nature and Strength of Interlayer Binding in Graphite Phys. Rev. Lett. 2009, 103, 196401
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 196401
-
-
Spanu, L.1
Sorella, S.2
Galli, G.3
-
38
-
-
84867531244
-
Electronic Structures of Single-Layer Boron Pnictides
-
Zhuang, H. L.; Hennig, R. G. Electronic Structures of Single-Layer Boron Pnictides Appl. Phys. Lett. 2012, 101, 153109
-
(2012)
Appl. Phys. Lett.
, vol.101
, pp. 153109
-
-
Zhuang, H.L.1
Hennig, R.G.2
-
39
-
-
84882261011
-
Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting
-
Zhuang, H. L.; Hennig, R. G. Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting Chem. Mater. 2013, 25, 3232-3238
-
(2013)
Chem. Mater.
, vol.25
, pp. 3232-3238
-
-
Zhuang, H.L.1
Hennig, R.G.2
-
41
-
-
84885611796
-
Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts
-
Zhuang, H. L.; Hennig, R. G. Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts J. Phys. Chem. C 2013, 117, 20440-20445
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 20440-20445
-
-
Zhuang, H.L.1
Hennig, R.G.2
-
43
-
-
84904985987
-
Computational Prediction of Two-Dimensional Group-IV Mono-Chalcogenides
-
Singh, A. K.; Hennig, R. G. Computational Prediction of Two-Dimensional Group-IV Mono-Chalcogenides Appl. Phys. Lett. 2014, 105, 042103
-
(2014)
Appl. Phys. Lett.
, vol.105
, pp. 042103
-
-
Singh, A.K.1
Hennig, R.G.2
-
44
-
-
84888421082
-
Computational Identification of Single-Layer CdO for Electronic and Optical Applications
-
Zhuang, H. L.; Hennig, R. G. Computational Identification of Single-Layer CdO for Electronic and Optical Applications Appl. Phys. Lett. 2013, 103, 212102
-
(2013)
Appl. Phys. Lett.
, vol.103
, pp. 212102
-
-
Zhuang, H.L.1
Hennig, R.G.2
-
45
-
-
84876236201
-
Computational Discovery of Single-Layer III-V Materials
-
Zhuang, H. L.; Singh, A. K.; Hennig, R. G. Computational Discovery of Single-Layer III-V Materials Phys. Rev. B 2013, 87, 165415
-
(2013)
Phys. Rev. B
, vol.87
, pp. 165415
-
-
Zhuang, H.L.1
Singh, A.K.2
Hennig, R.G.3
-
47
-
-
67650445626
-
Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments
-
Jin, C.; Lin, F.; Suenaga, K.; Iijima, S. Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments Phys. Rev. Lett. 2009, 102, 195505
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 195505
-
-
Jin, C.1
Lin, F.2
Suenaga, K.3
Iijima, S.4
-
49
-
-
84891405735
-
Evidence for Graphite-like Hexagonal AlN Nanosheets Epitaxially Grown on Single Crystal Ag (111)
-
Tsipas, P.; Kassavetis, S.; Tsoutsou, D.; Xenogiannopoulou, E.; Golias, E.; Giamini, S. A.; Grazianetti, C.; Chiappe, D.; Molle, A.; Fanciulli, M. Evidence for Graphite-like Hexagonal AlN Nanosheets Epitaxially Grown on Single Crystal Ag (111) Appl. Phys. Lett. 2013, 103, 251605
-
(2013)
Appl. Phys. Lett.
, vol.103
, pp. 251605
-
-
Tsipas, P.1
Kassavetis, S.2
Tsoutsou, D.3
Xenogiannopoulou, E.4
Golias, E.5
Giamini, S.A.6
Grazianetti, C.7
Chiappe, D.8
Molle, A.9
Fanciulli, M.10
-
50
-
-
84905587355
-
Computational Synthesis of Single-Layer GaN on Refractory Materials
-
Singh, A. K.; Hennig, R. G. Computational Synthesis of Single-Layer GaN on Refractory Materials Appl. Phys. Lett. 2014, 105, 051604
-
(2014)
Appl. Phys. Lett.
, vol.105
, pp. 051604
-
-
Singh, A.K.1
Hennig, R.G.2
-
51
-
-
84856962325
-
Direct Imaging of a Two-Dimensional Silica Glass on Graphene
-
Huang, P. Y.; Kurasch, S.; Srivastava, A.; Skakalova, V.; Kotakoski, J.; Krasheninnikov, A. V.; Hovden, R.; Mao, Q.; Meyer, J. C.; Smet, J. e. a. Direct Imaging of a Two-Dimensional Silica Glass on Graphene Nano Lett. 2012, 12, 1081-1086
-
(2012)
Nano Lett.
, vol.12
, pp. 1081-1086
-
-
Huang, P.Y.1
Kurasch, S.2
Srivastava, A.3
Skakalova, V.4
Kotakoski, J.5
Krasheninnikov, A.V.6
Hovden, R.7
Mao, Q.8
Meyer, J.C.9
-
52
-
-
84862189529
-
Experimental Evidence for Epitaxial Silicene on Diboride Thin Films
-
Fleurence, A.; Friedlein, R.; Ozaki, T.; Kawai, H.; Wang, Y.; Yamada-Takamura, Y. Experimental Evidence for Epitaxial Silicene on Diboride Thin Films Phys. Rev. Lett. 2012, 108, 245501
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 245501
-
-
Fleurence, A.1
Friedlein, R.2
Ozaki, T.3
Kawai, H.4
Wang, Y.5
Yamada-Takamura, Y.6
-
53
-
-
84903650141
-
Ab Initio Synthesis of Single-Layer III-V Materials
-
Singh, A. K.; Zhuang, H. L.; Hennig, R. G. Ab Initio Synthesis of Single-Layer III-V Materials Phys. Rev. B 2014, 89, 245431
-
(2014)
Phys. Rev. B
, vol.89
, pp. 245431
-
-
Singh, A.K.1
Zhuang, H.L.2
Hennig, R.G.3
-
54
-
-
84867304039
-
A Roadmap for Graphene
-
Novoselov, K. S.; Falko, V.; Colombo, L.; Gellert, P. R.; Schwab, M. G.; Kim, K. A Roadmap for Graphene Nature 2012, 490, 192-200
-
(2012)
Nature
, vol.490
, pp. 192-200
-
-
Novoselov, K.S.1
Falko, V.2
Colombo, L.3
Gellert, P.R.4
Schwab, M.G.5
Kim, K.6
-
55
-
-
84864195463
-
Synthesis of Few-Layer GaSe Nanosheets for High Performance Photodetectors
-
Hu, P.; Wen, Z.; Wang, L.; Tan, P.; Xiao, K. Synthesis of Few-Layer GaSe Nanosheets for High Performance Photodetectors ACS Nano 2012, 6, 5988-5994
-
(2012)
ACS Nano
, vol.6
, pp. 5988-5994
-
-
Hu, P.1
Wen, Z.2
Wang, L.3
Tan, P.4
Xiao, K.5
-
56
-
-
84880372807
-
2 Nanosheets
-
2 Nanosheets J. Am. Chem. Soc. 2013, 135, 10274-10277
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 10274-10277
-
-
Lukowski, M.A.1
Daniel, A.S.2
Meng, F.3
Forticaux, A.4
Li, L.5
Jin, S.6
-
57
-
-
79551634368
-
Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials
-
Coleman, J. N.; Lotya, M.; ONeill, A.; Bergin, S. D.; King, P. J.; Khan, U.; Young, K.; Gaucher, A.; De, S.; Smith, R. J. e. a. Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials Science 2011, 331, 568-571
-
(2011)
Science
, vol.331
, pp. 568-571
-
-
Coleman, J.N.1
Lotya, M.2
Oneill, A.3
Bergin, S.D.4
King, P.J.5
Khan, U.6
Young, K.7
Gaucher, A.8
De, S.9
-
58
-
-
84875654552
-
2
-
2 Small 2013, 9, 1974-1981
-
(2013)
Small
, vol.9
, pp. 1974-1981
-
-
Li, H.1
Lu, G.2
Wang, Y.3
Yin, Z.4
Cong, C.5
He, Q.6
Wang, L.7
Ding, F.8
Yu, T.9
Zhang, H.10
-
59
-
-
84860193736
-
Vortex Fluidic Exfoliation of Graphite and Boron Nitride
-
Chen, X.; Dobson, J. F.; Raston, C. L. Vortex Fluidic Exfoliation of Graphite and Boron Nitride Chem. Commun. 2012, 48, 3703-3705
-
(2012)
Chem. Commun.
, vol.48
, pp. 3703-3705
-
-
Chen, X.1
Dobson, J.F.2
Raston, C.L.3
-
60
-
-
84872832441
-
S. G. Van der Waals Epitaxial Growth of Graphene on Sapphire by CVD Without a Metal Catalyst
-
Hwang, J.; Campbell, D.; Shivaraman, S.; Alsalman, H.; Kwak, J. Y.; Kim, M.; Woll, A. R.; Singh, A.; Hennig, R. G. S. G. Van Der Waals Epitaxial Growth of Graphene on Sapphire by CVD Without a Metal Catalyst ACS Nano 2013, 7, 385
-
(2013)
ACS Nano
, vol.7
, pp. 385
-
-
Hwang, J.1
Campbell, D.2
Shivaraman, S.3
Alsalman, H.4
Kwak, J.Y.5
Kim, M.6
Woll, A.R.7
Singh, A.8
Hennig, R.G.9
-
61
-
-
34547193740
-
Observation of Depolarized ZnO (0001) Monolayers: Formation of Unreconstructed Planar Sheets
-
Tusche, C.; Meyerheim, H.; Kirschner, J. Observation of Depolarized ZnO (0001) Monolayers: Formation of Unreconstructed Planar Sheets Phys. Rev. Lett. 2007, 99, 026102
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 026102
-
-
Tusche, C.1
Meyerheim, H.2
Kirschner, J.3
-
62
-
-
81255129700
-
A Review on Silicene, New Candidate for Electronics
-
Kara, A.; Enriquez, H.; Seitsonen, A. P.; Lew Yan Voon, L.; Vizzini, S.; Aufray, B.; Oughaddou, H. A Review on Silicene, New Candidate for Electronics Surf. Sci. Rep. 2012, 67, 1-18
-
(2012)
Surf. Sci. Rep.
, vol.67
, pp. 1-18
-
-
Kara, A.1
Enriquez, H.2
Seitsonen, A.P.3
Lew Yan Voon, L.4
Vizzini, S.5
Aufray, B.6
Oughaddou, H.7
-
63
-
-
84902554430
-
Diverse and Tunable Electronic Structures of Single-Layer Metal Phosphorus Trichalcogenides for Photocatalytic Water Splitting
-
Liu, J.; Li, X.-B.; Wang, D.; Lau, W.-M.; Peng, P.; Liu, L.-M. Diverse and Tunable Electronic Structures of Single-Layer Metal Phosphorus Trichalcogenides for Photocatalytic Water Splitting J. Chem. Phys. 2014, 140, 054707
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 054707
-
-
Liu, J.1
Li, X.-B.2
Wang, D.3
Lau, W.-M.4
Peng, P.5
Liu, L.-M.6
-
65
-
-
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
-
66
-
-
0037799714
-
Hybrid Functionals Based on a Screened Coulomb Potential
-
Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207-8215
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207-8215
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
67
-
-
27644519159
-
Energy Band Gaps and Lattice Parameters Evaluated with the Heyd-Scuseria-Ernzerhof Screened Hybrid Functional
-
Heyd, J.; Peralta, J. E.; Scuseria, G. E.; Martin, R. L. Energy Band Gaps and Lattice Parameters Evaluated with the Heyd-Scuseria-Ernzerhof Screened Hybrid Functional J. Chem. Phys. 2005, 123, 174101-
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 174101
-
-
Heyd, J.1
Peralta, J.E.2
Scuseria, G.E.3
Martin, R.L.4
-
68
-
-
23344454109
-
The Perdew-Burke-Ernzerhof Exchange-Correlation Functional Applied to the G2-1 Test Set Using a Plane-Wave Basis Set
-
Paier, J.; Hirschl, R.; Marsman, M.; Kresse, G. the Perdew-Burke-Ernzerhof Exchange-Correlation Functional Applied to the G2-1 Test Set Using a Plane-Wave Basis Set J. Chem. Phys. 2005, 122, 064201
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 064201
-
-
Paier, J.1
Hirschl, R.2
Marsman, M.3
Kresse, G.4
-
69
-
-
0036057017
-
Electronic Excitations: Density-Functional Versus Many-Body Greens-Function Approaches
-
Onida, G.; Reining, L.; Rubio, A. Electronic Excitations: Density-Functional Versus Many-Body Greens-Function Approaches Rev. Mod. Phys. 2002, 74, 601-659
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601-659
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
70
-
-
0003470012
-
-
In; Ehrenreich, H. Spaepen, F. Solid State Phys; Academic Press: Salt Lake City, UT, Vol
-
Aulbur, W. G.; Jönsson, L.; Wilkins, J. W. In Quasiparticle Calculations in Solids; Ehrenreich, H.; Spaepen, F., Eds.; Solid State Phys; Academic Press: Salt Lake City, UT, 1999; Vol. 54, pp 1-218.
-
(1999)
Quasiparticle Calculations in Solids
, vol.54
, pp. 1-218
-
-
Aulbur, W.G.1
Jönsson, L.2
Wilkins, J.W.3
-
71
-
-
33744818476
-
Quasiparticle Self-Consistent GW Theory
-
van Schilfgaarde, M.; Kotani, T.; Faleev, S. Quasiparticle Self-Consistent GW Theory Phys. Rev. Lett. 2006, 96, 226402
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 226402
-
-
Van Schilfgaarde, M.1
Kotani, T.2
Faleev, S.3
-
72
-
-
84866429144
-
Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides
-
Ramasubramaniam, A. Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides Phys. Rev. B 2012, 86, 115409
-
(2012)
Phys. Rev. B
, vol.86
, pp. 115409
-
-
Ramasubramaniam, A.1
-
76
-
-
0000619793
-
Quasiparticle Band Structure of Thirteen Semiconductors and Insulators
-
Zhu, X.; Louie, S. G. Quasiparticle Band Structure of Thirteen Semiconductors and Insulators Phys. Rev. B 1991, 43, 14142-14156
-
(1991)
Phys. Rev. B
, vol.43
, pp. 14142-14156
-
-
Zhu, X.1
Louie, S.G.2
-
77
-
-
0024014464
-
Quasiparticle Calculation of Valence Band Offset of AlAs-GaAs(001)
-
Zhang, S.; Tománek, D.; Louie, S. G.; Cohen, M. L.; Hybertsen, M. S. Quasiparticle Calculation of Valence Band Offset of AlAs-GaAs(001) Solid State Commun. 1988, 66, 585-588
-
(1988)
Solid State Commun.
, vol.66
, pp. 585-588
-
-
Zhang, S.1
Tománek, D.2
Louie, S.G.3
Cohen, M.L.4
Hybertsen, M.S.5
-
78
-
-
35248858533
-
Theoretical Calculations of Heterojunction Discontinuities in the Si/Ge System
-
van de Walle, C. G.; Martin, R. M. Theoretical Calculations of Heterojunction Discontinuities in the Si/Ge System Phys. Rev. B 1986, 34, 5621-5634
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5621-5634
-
-
Van De Walle, C.G.1
Martin, R.M.2
-
79
-
-
84925238519
-
-
Revision; Gaussian, Inc. Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision D.01; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
, Issue.D.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
80
-
-
66349120487
-
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
-
Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions J. Phys. Chem. B 2009, 113, 6378-6396
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6378-6396
-
-
Marenich, A.V.1
Cramer, C.J.2
Truhlar, D.G.3
-
81
-
-
84896795660
-
Implicit Solvation Model for Density-Functional Study of Nanocrystal Surfaces and Reaction Pathways
-
Mathew, K.; Sundararaman, R.; Letchworth-Weaver, K.; Arias, T. A.; Hennig, R. G. Implicit Solvation Model for Density-Functional Study of Nanocrystal Surfaces and Reaction Pathways J. Chem. Phys. 2014, 140, 084106
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 084106
-
-
Mathew, K.1
Sundararaman, R.2
Letchworth-Weaver, K.3
Arias, T.A.4
Hennig, R.G.5
-
82
-
-
84962384533
-
First-Principles Molecular Dynamics Simulations in a Continuum Solvent
-
Fattebert, J.-L.; Gygi, F. First-Principles Molecular Dynamics Simulations in a Continuum Solvent Int. J. Quantum Chem. 2003, 93, 139-147
-
(2003)
Int. J. Quantum Chem.
, vol.93
, pp. 139-147
-
-
Fattebert, J.-L.1
Gygi, F.2
-
83
-
-
84871560627
-
Optical and Energy-Loss Spectra of the Antiferromagnetic Transition Metal Oxides MnO, FeO, CoO, and NiO Including Quasiparticle and Excitonic Effects
-
Rödl, C.; Bechstedt, F. Optical and Energy-Loss Spectra of the Antiferromagnetic Transition Metal Oxides MnO, FeO, CoO, and NiO Including Quasiparticle and Excitonic Effects Phys. Rev. B 2012, 86, 235122
-
(2012)
Phys. Rev. B
, vol.86
, pp. 235122
-
-
Rödl, C.1
Bechstedt, F.2
-
84
-
-
84859135580
-
First-Principles Optical Spectra for F Centers in MgO
-
Rinke, P.; Schleife, A.; Kioupakis, E.; Janotti, A.; Rödl, C.; Bechstedt, F.; Scheffler, M.; van de Walle, C. G. First-Principles Optical Spectra for F Centers in MgO Phys. Rev. Lett. 2012, 108, 126404
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 126404
-
-
Rinke, P.1
Schleife, A.2
Kioupakis, E.3
Janotti, A.4
Rödl, C.5
Bechstedt, F.6
Scheffler, M.7
Van De Walle, C.G.8
-
85
-
-
84870655918
-
Strain-Engineered Artificial Atom As a Broad-Spectrum Solar Energy Funnel
-
Feng, J.; Qian, X.; Huang, C.-W.; Li, J. Strain-Engineered Artificial Atom As a Broad-Spectrum Solar Energy Funnel Nat. Photonics 2012, 6, 866-872
-
(2012)
Nat. Photonics
, vol.6
, pp. 866-872
-
-
Feng, J.1
Qian, X.2
Huang, C.-W.3
Li, J.4
-
86
-
-
84860377527
-
2 Ultrathin Nanosheet Arrays: Excellent Energy Storage, Catalysis, Photoconduction, and Field-Emitting Performances
-
2 Ultrathin Nanosheet Arrays: Excellent Energy Storage, Catalysis, Photoconduction, and Field-Emitting Performances J. Phys. Chem. C 2012, 116, 9319-9326
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 9319-9326
-
-
Zhong, H.1
Yang, G.2
Song, H.3
Liao, Q.4
Cui, H.5
Shen, P.6
Wang, C.-X.7
-
87
-
-
0018335353
-
Optical Transitions from D Core Levels in Tin Dichalcogenides
-
Bertrand, Y.; Leveque, G.; Robin, J.; Mamy, R. Optical Transitions from D Core Levels in Tin Dichalcogenides Physica B+C (Amsterdam) 1980, 99, 287-290
-
(1980)
Physica B+C (Amsterdam)
, vol.99
, pp. 287-290
-
-
Bertrand, Y.1
Leveque, G.2
Robin, J.3
Mamy, R.4
-
90
-
-
0000504528
-
-
Saalmann, U.; Schmidt, R. Zeitschrift für Physik D: Atoms, Molecules and Clusters 1996, 38, 153-163
-
(1996)
Zeitschrift für Physik D: Atoms, Molecules and Clusters
, vol.38
, pp. 153-163
-
-
Saalmann, U.1
Schmidt, R.2
-
91
-
-
0037351976
-
Octopus: A. First-Principles Tool for Excited Electron-Ion Dynamics
-
octopus: A. First-Principles Tool for Excited Electron-Ion Dynamics Comput. Phys. Commun., 2003, 151, 60-78.
-
(2003)
Comput. Phys. Commun.
, vol.151
, pp. 60-78
-
-
-
92
-
-
0042137125
-
On Electron Dynamics in Violent Cluster Excitations
-
Reinhard, P.-G.; Suraud, E. On Electron Dynamics in Violent Cluster Excitations J. Cluster Sci. 1999, 10, 239-270
-
(1999)
J. Cluster Sci.
, vol.10
, pp. 239-270
-
-
Reinhard, P.-G.1
Suraud, E.2
-
93
-
-
84871210384
-
Perspective: Nonadiabatic Dynamics Theory
-
Tully, J. C. Perspective: Nonadiabatic Dynamics Theory J. Chem. Phys. 2012, 137, 22A301
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 22A301
-
-
Tully, J.C.1
-
94
-
-
0001172942
-
Quantum Backreaction on Classical Variables
-
Anderson, A. Quantum Backreaction on Classical Variables Phys. Rev. Lett. 1995, 74, 621-625
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 621-625
-
-
Anderson, A.1
-
95
-
-
0000971211
-
Impediments to Mixing Classical and Quantum Dynamics
-
Caro, J.; Salcedo, L. L. Impediments to Mixing Classical and Quantum Dynamics Phys. Rev. A 1999, 60, 842-852
-
(1999)
Phys. Rev. A
, vol.60
, pp. 842-852
-
-
Caro, J.1
Salcedo, L.L.2
-
96
-
-
0347855782
-
Mean-Field Molecular Dynamics with Surface Hopping
-
Prezhdo, O. V.; Rossky, P. J. Mean-Field Molecular Dynamics with Surface Hopping J. Chem. Phys. 1997, 107, 825-834
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 825-834
-
-
Prezhdo, O.V.1
Rossky, P.J.2
-
97
-
-
84908432330
-
2
-
2 ACS Nano 2014, 8, 10931-10940
-
(2014)
ACS Nano
, vol.8
, pp. 10931-10940
-
-
Nie, Z.1
Long, R.2
Sun, L.3
Huang, C.-C.4
Zhang, J.5
Xiong, Q.6
Hewak, D.W.7
Shen, Z.8
Prezhdo, O.V.9
Loh, Z.-H.10
-
98
-
-
28844431580
-
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
-
Craig, C. F.; Duncan, W. R.; Prezhdo, O. V. Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics Phys. Rev. Lett. 2005, 95, 163001
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 163001
-
-
Craig, C.F.1
Duncan, W.R.2
Prezhdo, O.V.3
-
100
-
-
0036613788
-
Thermo-Calc & DICTRA, Computational Tools for Materials Science
-
Andersson, J.-O.; Helander, T.; Höglund, L.; Shi, P.; Sundman, B. Thermo-Calc & DICTRA, Computational Tools for Materials Science CALPHAD: Comput. Coupling Phase Diagrams Thermochem. 2002, 26, 273-312
-
(2002)
CALPHAD: Comput. Coupling Phase Diagrams Thermochem.
, vol.26
, pp. 273-312
-
-
Andersson, J.-O.1
Helander, T.2
Höglund, L.3
Shi, P.4
Sundman, B.5
-
101
-
-
84886996545
-
Commentary: The Materials Project: A Materials Genome Approach to Accelerating Materials Innovation
-
Jain, A.; Ong, S. P.; Hautier, G.; Chen, W.; Richards, W. D.; Dacek, S.; Cholia, S.; Gunter, D.; Skinner, D.; Ceder, G. e. a. Commentary: The Materials Project: A Materials Genome Approach to Accelerating Materials Innovation APL Mater. 2013, 1, 011002
-
(2013)
APL Mater.
, vol.1
, pp. 011002
-
-
Jain, A.1
Ong, S.P.2
Hautier, G.3
Chen, W.4
Richards, W.D.5
Dacek, S.6
Cholia, S.7
Gunter, D.8
Skinner, D.9
-
102
-
-
84862662273
-
Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
-
Persson, K. A.; Waldwick, B.; Lazic, P.; Ceder, G. Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states Phys. Rev. B 2012, 85, 235438
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235438
-
-
Persson, K.A.1
Waldwick, B.2
Lazic, P.3
Ceder, G.4
-
103
-
-
84859148334
-
Predicting Nanocrystal Shape Through Consideration of Surface-Ligand Interactions
-
Bealing, C. R.; Baumgardner, W. J.; Choi, J. J.; Hanrath, T.; Hennig, R. G. Predicting Nanocrystal Shape Through Consideration of Surface-Ligand Interactions ACS Nano 2012, 6, 2118-2127
-
(2012)
ACS Nano
, vol.6
, pp. 2118-2127
-
-
Bealing, C.R.1
Baumgardner, W.J.2
Choi, J.J.3
Hanrath, T.4
Hennig, R.G.5
-
104
-
-
0000941964
-
The Production and Breakdown of the Passivity of Metals
-
Hoar, T. the Production and Breakdown of the Passivity of Metals Corros. Sci. 1967, 7, 341-355
-
(1967)
Corros. Sci.
, vol.7
, pp. 341-355
-
-
Hoar, T.1
-
105
-
-
77956315929
-
Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases
-
van Duin, A. C. T.; Bryantsev, V. S.; Diallo, M. S.; Goddard, W. A.; Rahaman, O.; Doren, D. J.; Raymand, D.; Hermansson, K. Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases J. Phys. Chem. A 2010, 114, 9507-9514
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 9507-9514
-
-
Van Duin, A.C.T.1
Bryantsev, V.S.2
Diallo, M.S.3
Goddard, W.A.4
Rahaman, O.5
Doren, D.J.6
Raymand, D.7
Hermansson, K.8
-
106
-
-
84887021282
-
Classical Atomistic Simulations of Surfaces and Heterogeneous Interfaces with the Charge-Optimized Many Body (COMB) Potentials
-
Liang, T.; Shan, T.-R.; Cheng, Y.-T.; Devine, B. D.; Noordhoek, M.; Li, Y.; Lu, Z.; Phillpot, S. R.; Sinnott, S. B. Classical Atomistic Simulations of Surfaces and Heterogeneous Interfaces with the Charge-Optimized Many Body (COMB) Potentials Mater. Sci. Eng., R 2013, 74, 255-279
-
(2013)
Mater. Sci. Eng., R
, vol.74
, pp. 255-279
-
-
Liang, T.1
Shan, T.-R.2
Cheng, Y.-T.3
Devine, B.D.4
Noordhoek, M.5
Li, Y.6
Lu, Z.7
Phillpot, S.R.8
Sinnott, S.B.9
-
107
-
-
84906076307
-
-
In; Atahan-Evrenk, S. Aspuru-Guzik, A. Topics in Current Chemistry; Springer International Publishing: New York, Vol. 345
-
Revard, B. C.; Tipton, W. W.; Hennig, R. G. In Prediction and Calculation of Crystal Structures; Atahan-Evrenk, S.; Aspuru-Guzik, A. Eds.; Topics in Current Chemistry; Springer International Publishing: New York, 2014; Vol. 345, pp 181-222.
-
(2014)
Prediction and Calculation of Crystal Structures
, pp. 181-222
-
-
Revard, B.C.1
Tipton, W.W.2
Hennig, R.G.3
-
108
-
-
84887594991
-
A Grand Canonical Genetic Algorithm for the Prediction of Multi-Component Phase Diagrams and Testing of Empirical Potentials
-
Tipton, W. W.; Hennig, R. G. A Grand Canonical Genetic Algorithm for the Prediction of Multi-Component Phase Diagrams and Testing of Empirical Potentials J. Phys. Condens. Mater. 2013, 25, 495401
-
(2013)
J. Phys. Condens. Mater.
, vol.25
, pp. 495401
-
-
Tipton, W.W.1
Hennig, R.G.2
-
109
-
-
77957558333
-
Crystal Structure Prediction Via Particle-Swarm Optimization
-
Wang, Y.; Lv, J.; Zhu, L.; Ma, Y. Crystal Structure Prediction Via Particle-Swarm Optimization Phys. Rev. B 2010, 82, 094116
-
(2010)
Phys. Rev. B
, vol.82
, pp. 094116
-
-
Wang, Y.1
Lv, J.2
Zhu, L.3
Ma, Y.4
-
110
-
-
2942692078
-
Minima Hopping: An Efficient Search Method for the Global Minimum of the Potential Energy Surface of Complex Molecular Systems
-
Goedecker, S. Minima Hopping: An Efficient Search Method for the Global Minimum of the Potential Energy Surface of Complex Molecular Systems J. Chem. Phys. 2004, 120, 9911-9917
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9911-9917
-
-
Goedecker, S.1
-
112
-
-
0038335620
-
Charge Transfer Processes at Semiconductor-Elcetrolyte Interfaces in Connection with the Problems of Catalysis
-
Gerischer, H. Charge Transfer Processes at Semiconductor-Elcetrolyte Interfaces in Connection with the Problems of Catalysis Surf. Sci. 1969, 18, 97-122
-
(1969)
Surf. Sci.
, vol.18
, pp. 97-122
-
-
Gerischer, H.1
-
113
-
-
84863833798
-
Finite-Size Supercell Correction Schemes for Charged Defect Calculations
-
Komsa, H.-P.; Rantala, T. T.; Pasquarello, A. Finite-Size Supercell Correction Schemes for Charged Defect Calculations Phys. Rev. B 2012, 86, 045112
-
(2012)
Phys. Rev. B
, vol.86
, pp. 045112
-
-
Komsa, H.-P.1
Rantala, T.T.2
Pasquarello, A.3
-
114
-
-
78651294842
-
Electrostatic Interactions between Charged Defects in Supercells
-
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G. Electrostatic Interactions Between Charged Defects in Supercells Phys. Status Solidi B 2011, 248, 1067-1076
-
(2011)
Phys. Status Solidi B
, vol.248
, pp. 1067-1076
-
-
Freysoldt, C.1
Neugebauer, J.2
Van De Walle, C.G.3
-
115
-
-
84865682664
-
Joint Density Functional Theory of the Electrode-Electrolyte Interface: Application to Fixed Electrode Potentials, Interfacial Capacitances, and Potentials of Zero Charge
-
K. Letchworth-Weaver, T. A. Joint Density Functional Theory of the Electrode-Electrolyte Interface: Application to Fixed Electrode Potentials, Interfacial Capacitances, and Potentials of Zero Charge Phys. Rev. B 2012, 86, 075140
-
(2012)
Phys. Rev. B
, vol.86
, pp. 075140
-
-
Letchworth-Weaver, K.1
-
116
-
-
34347335638
-
Joint Density-Functional Theory for Electronic Structure of Solvated Systems
-
Petrosyan, S.; Briere, J.-F.; Roundy, D.; Arias, T. Joint Density-Functional Theory for Electronic Structure of Solvated Systems Phys. Rev. B 2007, 75, 205105
-
(2007)
Phys. Rev. B
, vol.75
, pp. 205105
-
-
Petrosyan, S.1
Briere, J.-F.2
Roundy, D.3
Arias, T.4
-
117
-
-
84887063670
-
The Importance of Nonlinear Fluid Response in Joint Density-Functional Theory Studies of Battery Systems
-
Gunceler, D.; Letchworth-Weaver, K.; Sundararaman, R.; Schwarz, K. a.; Arias, T. a. the Importance of Nonlinear Fluid Response in Joint Density-Functional Theory Studies of Battery Systems Modell. Simul. Mater. Sci. Eng. 2013, 21, 074005
-
(2013)
Modell. Simul. Mater. Sci. Eng.
, vol.21
, pp. 074005
-
-
Gunceler, D.1
Letchworth-Weaver, K.2
Sundararaman, R.3
-
118
-
-
84898892656
-
Single-Layer Group-IVB Nitride Halides As Promising Photocatalysts
-
Liu, J.; Li, X. B.; Wang, D.; Liu, H.; Peng, P.; Liu, L.-M. Single-Layer Group-IVB Nitride Halides As Promising Photocatalysts J. Mater. Chem. A 2014, 2, 6755-6761
-
(2014)
J. Mater. Chem. A
, vol.2
, pp. 6755-6761
-
-
Liu, J.1
Li, X.B.2
Wang, D.3
Liu, H.4
Peng, P.5
Liu, L.-M.6
-
119
-
-
84887852396
-
2
-
2 Nano Lett. 2013, 13, 5361-6
-
(2013)
Nano Lett.
, vol.13
, pp. 5361-5366
-
-
Castellanos-Gomez, A.1
Roldan, R.2
Cappelluti, E.3
Buscema, M.4
Guinea, F.5
Van Der Zant, H.S.6
Steele, G.A.7
-
120
-
-
68649099010
-
Strain Engineering of Graphenes Electronic Structure
-
Pereira, V.; Castro Neto, A. Strain Engineering of Graphenes Electronic Structure Phys. Rev. Lett.. 2009, 103.
-
(2009)
Phys. Rev. Lett.
, vol.103
-
-
Pereira, V.1
Castro Neto, A.2
-
122
-
-
84881590746
-
2
-
2 Nano Lett. 2013, 13, 3626-30
-
(2013)
Nano Lett.
, vol.13
, pp. 3626-3630
-
-
Conley, H.J.1
Wang, B.2
Ziegler, J.I.3
Haglund, J.4
Pantelides, R.F.5
Bolotin, S.T.6
Bandgap, K.I.7
-
123
-
-
84896342816
-
Straining Graphene Using Thin Film Shrinkage Methods
-
Shioya, H.; Craciun, M. F.; Russo, S.; Yamamoto, M.; Tarucha, S. Straining Graphene Using Thin Film Shrinkage Methods Nano Lett. 2014, 14, 1158-63
-
(2014)
Nano Lett.
, vol.14
, pp. 1158-1163
-
-
Shioya, H.1
Craciun, M.F.2
Russo, S.3
Yamamoto, M.4
Tarucha, S.5
-
124
-
-
77955301386
-
An Overview of Photocells and Photoreactors for Photoelectrochemical Water Splitting
-
Minggu, L. J.; Wan Daud, W. R.; Kassim, M. B. An Overview of Photocells and Photoreactors for Photoelectrochemical Water Splitting Int. J. Hydrogen Energy 2010, 35, 5233-5244
-
(2010)
Int. J. Hydrogen Energy
, vol.35
, pp. 5233-5244
-
-
Minggu, L.J.1
Wan Daud, W.R.2
Kassim, M.B.3
-
125
-
-
36749005013
-
Charge Transfer Equilibria between Diamond and an Aqueous Oxygen Electrochemical Redox Couple
-
Chakrapani, V.; Angus, J. C.; Anderson, A. B.; Wolter, S. D.; Stoner, B. R.; Sumanasekera, G. U. Charge Transfer Equilibria Between Diamond and an Aqueous Oxygen Electrochemical Redox Couple Science 2007, 318, 1424-1430
-
(2007)
Science
, vol.318
, pp. 1424-1430
-
-
Chakrapani, V.1
Angus, J.C.2
Anderson, A.B.3
Wolter, S.D.4
Stoner, B.R.5
Sumanasekera, G.U.6
-
126
-
-
33747867356
-
Controlling Charge-Transfer Processes at Semiconductor/liquid Junctions
-
Hilal, H. S.; Turner, J. A. Controlling Charge-Transfer Processes at Semiconductor/liquid Junctions Electrochimica Acta 2006, 51, 6487-6497
-
(2006)
Electrochimica Acta
, vol.51
, pp. 6487-6497
-
-
Hilal, H.S.1
Turner, J.A.2
-
127
-
-
84872333981
-
Band Offsets and Heterostructures of Two-Dimensional Semiconductors
-
Kang, J.; Tongay, S.; Zhou, J.; Li, J.; Wu, J. Band Offsets and Heterostructures of Two-Dimensional Semiconductors Appl. Phys. Lett. 2013, 102, 012111
-
(2013)
Appl. Phys. Lett.
, vol.102
, pp. 012111
-
-
Kang, J.1
Tongay, S.2
Zhou, J.3
Li, J.4
Wu, J.5
-
129
-
-
34447326950
-
2 Nanocatalysts
-
2 Nanocatalysts Science 2007, 317, 100-102
-
(2007)
Science
, vol.317
, pp. 100-102
-
-
Jaramillo, T.F.1
Jorgensen, K.P.2
Bonde, J.3
Nielsen, J.H.4
Horch, S.5
Chorkendorff, I.6
-
130
-
-
33846814903
-
-
2 Nanocrystals 2007, 2, 53-58
-
(2007)
2 Nanocrystals
, vol.2
, pp. 53-58
-
-
Lauritsen, J.V.1
Kibsgaard, J.2
Helveg, S.3
Topsoe, H.4
Clausen, B.S.5
Laegsgaard, E.6
Besenbacher, F.7
-
132
-
-
84912000271
-
The Stabilities and Electronic Structures of Single-Layer Bismuth Oxyhalides for Photocatalytic Water Splitting
-
Zhang, X.; Li, B.; Wang, J.; Yuan, Y.; Zhang, Q.; Gao, Z.; Liu, L.-M.; Chen, L. the Stabilities and Electronic Structures of Single-Layer Bismuth Oxyhalides for Photocatalytic Water Splitting Phys. Chem. Chem. Phys. 2014, 16, 25854-25861
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 25854-25861
-
-
Zhang, X.1
Li, B.2
Wang, J.3
Yuan, Y.4
Zhang, Q.5
Gao, Z.6
Liu, L.-M.7
Chen, L.8
-
133
-
-
84890792924
-
Surfactant-Thermal Method to Synthesize a Novel Two-Dimensional Oxochalcogenide
-
Gao, J.; Tay, Q.; Li, P. Z.; Xiong, W. W.; Zhao, Y.; Chen, Z.; Zhang, Q. Surfactant-Thermal Method to Synthesize a Novel Two-Dimensional Oxochalcogenide Chem.-Asian J. 2014, 9, 131-134
-
(2014)
Chem.-Asian J.
, vol.9
, pp. 131-134
-
-
Gao, J.1
Tay, Q.2
Li, P.Z.3
Xiong, W.W.4
Zhao, Y.5
Chen, Z.6
Zhang, Q.7
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