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Volumn 119, Issue 45, 2015, Pages 25188-25196

Relationship between Carbon Nitride Structure and Exciton Binding Energies: A DFT Perspective

Author keywords

[No Author keywords available]

Indexed keywords

BINS; CARBON; CRYSTAL ATOMIC STRUCTURE; EXCITONS; HETEROJUNCTIONS; POLYMERS;

EID: 84946944781     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07059     Document Type: Article
Times cited : (115)

References (74)
  • 2
    • 33751424725 scopus 로고    scopus 로고
    • Water-Splitting Chemistry of Photosystem II
    • McEvoy, J.; Brudvig, G. Water-Splitting Chemistry of Photosystem II Chem. Rev. 2006, 106, 4455-4483 10.1021/cr0204294
    • (2006) Chem. Rev. , vol.106 , pp. 4455-4483
    • McEvoy, J.1    Brudvig, G.2
  • 3
    • 84883008345 scopus 로고    scopus 로고
    • 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. et al. Technical and Economic Feasibility of Centralized Facilities for Solar Hydrogen Production via Photocatalysis and Photoelectrochemistry Energy Environ. Sci. 2013, 6, 1983-2002 10.1039/c3ee40831k
    • (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
  • 4
  • 5
    • 20444373328 scopus 로고
    • Prediction of New Low Compressibility Solids
    • Liu, A. Y.; Cohen, M. L. Prediction of New Low Compressibility Solids Science 1989, 245, 841-842 10.1126/science.245.4920.841
    • (1989) Science , vol.245 , pp. 841-842
    • Liu, A.Y.1    Cohen, M.L.2
  • 7
    • 0006231796 scopus 로고
    • About Some Nitrogen Compounds
    • Liebig, J. About Some Nitrogen Compounds Ann. Pharm. 1834, 10, 10
    • (1834) Ann. Pharm. , vol.10 , pp. 10
    • Liebig, J.1
  • 8
    • 85027942818 scopus 로고    scopus 로고
    • 4 - The First Stable Binary Carbon(IV) Nitride
    • 4-The First Stable Binary Carbon(IV) Nitride Angew. Chem., Int. Ed. 2014, 53, 11134-11136 10.1002/anie.201406427
    • (2014) Angew. Chem., Int. Ed. , vol.53 , pp. 11134-11136
    • Kroke, E.1
  • 11
    • 0034500326 scopus 로고    scopus 로고
    • Synthesis of Nitrogen-Rich Carbon Nitride Networks from an Energetic Molecular Azide Precursor
    • Gillan, E. G. Synthesis of Nitrogen-Rich Carbon Nitride Networks from an Energetic Molecular Azide Precursor Chem. Mater. 2000, 12, 3906-3912 10.1021/cm000570y
    • (2000) Chem. Mater. , vol.12 , pp. 3906-3912
    • Gillan, E.G.1
  • 12
    • 84903214309 scopus 로고    scopus 로고
    • 4-Based Photocatalysts for Hydrogen Generation
    • 4-Based Photocatalysts for Hydrogen Generation J. Phys. Chem. Lett. 2014, 5, 2101-2107 10.1021/jz500546b
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2101-2107
    • Cao, S.1    Yu, J.2
  • 13
    • 84855290827 scopus 로고    scopus 로고
    • Polymeric Graphitic Carbon Nitride as a Heterogeneous Organocatalyst: From Photochemistry to Multipurpose Catalysis to Sustainable Chemistry
    • Wang, Y.; Wang, X.; Antonietti, M. Polymeric Graphitic Carbon Nitride as a Heterogeneous Organocatalyst: from Photochemistry to Multipurpose Catalysis to Sustainable Chemistry Angew. Chem., Int. Ed. 2012, 51, 68-89 10.1002/anie.201101182
    • (2012) Angew. Chem., Int. Ed. , vol.51 , pp. 68-89
    • Wang, Y.1    Wang, X.2    Antonietti, M.3
  • 14
    • 78650145531 scopus 로고    scopus 로고
    • Making Metal-Carbon Nitride Heterojunctions for Improved Photocatalytic Hydrogen Evolution with Visible Light
    • Di, Y.; Wang, X.; Thomas, A.; Antonietti, M. Making Metal-Carbon Nitride Heterojunctions for Improved Photocatalytic Hydrogen Evolution with Visible Light ChemCatChem 2010, 2, 834-838 10.1002/cctc.201000057
    • (2010) ChemCatChem , vol.2 , pp. 834-838
    • Di, Y.1    Wang, X.2    Thomas, A.3    Antonietti, M.4
  • 15
    • 79955398643 scopus 로고    scopus 로고
    • Polyaniline-Functionalized Carbon Nanotube Supported Platinum Catalysts
    • He, D.; Zeng, C.; Xu, C.; Cheng, N.; Li, H.; Mu, S.; Pan, M. Polyaniline-Functionalized Carbon Nanotube Supported Platinum Catalysts Langmuir 2011, 27, 5582-5588 10.1021/la2003589
    • (2011) Langmuir , vol.27 , pp. 5582-5588
    • He, D.1    Zeng, C.2    Xu, C.3    Cheng, N.4    Li, H.5    Mu, S.6    Pan, M.7
  • 16
    • 65149086435 scopus 로고    scopus 로고
    • Hydrogen Spillover in the Context of Hydrogen Storage Using Solid-State Materials
    • Cheng, H.; Chen, L.; Cooper, A. C.; Sha, X.; Pez, G. P. Hydrogen Spillover in the Context of Hydrogen Storage Using Solid-State Materials Energy Environ. Sci. 2008, 1, 338-345 10.1039/b807618a
    • (2008) Energy Environ. Sci. , vol.1 , pp. 338-345
    • Cheng, H.1    Chen, L.2    Cooper, A.C.3    Sha, X.4    Pez, G.P.5
  • 18
    • 65249152414 scopus 로고    scopus 로고
    • Photocatalytic Activities of Graphitic Carbon Nitride Powder for Water Reduction and Oxidation under Visible Light
    • Maeda, K.; Wang, X.; Nishihara, Y.; Lu, D.; Antonietti, M.; Domen, K. Photocatalytic Activities of Graphitic Carbon Nitride Powder for Water Reduction and Oxidation under Visible Light J. Phys. Chem. C 2009, 113, 4940-4947 10.1021/jp809119m
    • (2009) J. Phys. Chem. C , vol.113 , pp. 4940-4947
    • Maeda, K.1    Wang, X.2    Nishihara, Y.3    Lu, D.4    Antonietti, M.5    Domen, K.6
  • 21
    • 34250342222 scopus 로고    scopus 로고
    • Unmasking Melon by a Complementary Approach Employing Electron Diffraction, Solid-State NMR Spectroscopy, and Theoretical Calculations-Structural Characterization of a Carbon Nitride Polymer
    • Lotsch, B. V.; Döblinger, M.; Sehnert, J.; Seyfarth, L.; Senker, J.; Oeckler, O.; Schnick, W. Unmasking Melon by a Complementary Approach Employing Electron Diffraction, Solid-State NMR Spectroscopy, and Theoretical Calculations-Structural Characterization of a Carbon Nitride Polymer Chem.-Eur. J. 2007, 13, 4969-80 10.1002/chem.200601759
    • (2007) Chem. - Eur. J. , vol.13 , pp. 4969-4980
    • Lotsch, B.V.1    Döblinger, M.2    Sehnert, J.3    Seyfarth, L.4    Senker, J.5    Oeckler, O.6    Schnick, W.7
  • 24
    • 84897442837 scopus 로고    scopus 로고
    • Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT
    • Le Bahers, T.; Rérat, M.; Sautet, P. Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT J. Phys. Chem. C 2014, 118, 5997-6008 10.1021/jp409724c
    • (2014) J. Phys. Chem. C , vol.118 , pp. 5997-6008
    • Le Bahers, T.1    Rérat, M.2    Sautet, P.3
  • 26
    • 84927153774 scopus 로고    scopus 로고
    • Electronic Structure and Photocatalytic Activity of Wurtzite CuGaAs Nanocrystals and Their Zn Substitution
    • Kandiel, T. A.; Anjum, D. H.; Sautet, P.; Le Bahers, T.; Takanabe, K. Electronic Structure and Photocatalytic Activity of Wurtzite CuGaAs Nanocrystals and Their Zn Substitution J. Mater. Chem. A 2015, 3, 8896-8904 10.1039/C5TA01552A
    • (2015) J. Mater. Chem. A , vol.3 , pp. 8896-8904
    • Kandiel, T.A.1    Anjum, D.H.2    Sautet, P.3    Le Bahers, T.4    Takanabe, K.5
  • 29
    • 38049022001 scopus 로고    scopus 로고
    • Coupled Perturbed Hartree-Fock for Periodic Systems: The Role of Symmetry and Related Computational Aspects
    • Ferrero, M.; Rérat, M.; Orlando, R.; Dovesi, R. Coupled Perturbed Hartree-Fock for Periodic Systems: The Role of Symmetry and Related Computational Aspects J. Chem. Phys. 2008, 128, 014110 10.1063/1.2817596
    • (2008) J. Chem. Phys. , vol.128 , pp. 014110
    • Ferrero, M.1    Rérat, M.2    Orlando, R.3    Dovesi, R.4
  • 30
    • 44449178442 scopus 로고    scopus 로고
    • The Calculation of Static Polarizabilities of 1-3D Periodic Compounds. the Implementation in the CRYSTAL Code
    • Ferrero, M.; Rérat, M.; Orlando, R.; Dovesi, R. The Calculation of Static Polarizabilities of 1-3D Periodic Compounds. The Implementation in the CRYSTAL Code J. Comput. Chem. 2007, 29, 1450-1459 10.1002/jcc.20905
    • (2007) J. Comput. Chem. , vol.29 , pp. 1450-1459
    • Ferrero, M.1    Rérat, M.2    Orlando, R.3    Dovesi, R.4
  • 31
    • 58149231183 scopus 로고    scopus 로고
    • The Calculation of Static Polarizabilities of 1-3D Periodic Compounds. the Implementation in the CRYSTAL Code
    • Ferrero, M.; Rérat, M.; Kirtman, B.; Dovesi, R. The Calculation of Static Polarizabilities of 1-3D Periodic Compounds. The Implementation in the CRYSTAL Code J. Chem. Phys. 2008, 129, 244110 10.1063/1.3043366
    • (2008) J. Chem. Phys. , vol.129 , pp. 244110
    • Ferrero, M.1    Rérat, M.2    Kirtman, B.3    Dovesi, R.4
  • 32
    • 0036147401 scopus 로고    scopus 로고
    • Polarization Properties of ZnO and BeO: An Ab Initio Study Through the Berry Phase and Wannier Functions Approaches
    • Noel, Y.; Zicovich-Wilson, C. M.; Civalleri, B.; D'Arco, P.; Dovesi, R. Polarization Properties of ZnO and BeO: An Ab Initio Study Through the Berry Phase and Wannier Functions Approaches Phys. Rev. B: Condens. Matter Mater. Phys. 2001, 65, 14111 10.1103/PhysRevB.65.014111
    • (2001) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.65 , pp. 14111
    • Noel, Y.1    Zicovich-Wilson, C.M.2    Civalleri, B.3    D'Arco, P.4    Dovesi, R.5
  • 33
    • 0037799714 scopus 로고    scopus 로고
    • 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 10.1063/1.1564060
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207-8215
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 34
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: Hybrid Functionals Based on a Screened Coulomb Potential [J. Chem. Phys. 118, 8207 (2003)]
    • Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Erratum: Hybrid Functionals Based on a Screened Coulomb Potential [J. Chem. Phys. 118, 8207 (2003)] J. Chem. Phys. 2006, 124, 219906 10.1063/1.2204597
    • (2006) J. Chem. Phys. , vol.124 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 35
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the Exchange Screening Parameter on the Performance of Screened Hybrid Functionals
    • Krukau, A.; Vydrov, O.; Izmaylov, A.; Scuseria, G. Influence of the Exchange Screening Parameter on the Performance of Screened Hybrid Functionals J. Chem. Phys. 2006, 125, 224106 10.1063/1.2404663
    • (2006) J. Chem. Phys. , vol.125 , pp. 224106
    • Krukau, A.1    Vydrov, O.2    Izmaylov, A.3    Scuseria, G.4
  • 36
    • 79955058661 scopus 로고    scopus 로고
    • Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional
    • Barone, V.; Hod, O.; Peralta, J. E.; Scuseria, G. E. Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional Acc. Chem. Res. 2011, 44, 269-279 10.1021/ar100137c
    • (2011) Acc. Chem. Res. , vol.44 , pp. 269-279
    • Barone, V.1    Hod, O.2    Peralta, J.E.3    Scuseria, G.E.4
  • 37
    • 78651297325 scopus 로고    scopus 로고
    • Accurate Treatment of Solids with the HSE Screened Hybrid
    • Henderson, T. M.; Paier, J.; Scuseria, G. E. Accurate Treatment of Solids with the HSE Screened Hybrid Phys. Status Solidi B 2011, 248, 767-774 10.1002/pssb.201046303
    • (2011) Phys. Status Solidi B , vol.248 , pp. 767-774
    • Henderson, T.M.1    Paier, J.2    Scuseria, G.E.3
  • 38
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799 10.1002/jcc.20495
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 39
    • 84887002038 scopus 로고    scopus 로고
    • Hybrid Functional with Semi-Empirical Van der Waals Study of Native Defects in Hexagonal BN
    • Wang, V.; Liu, R. J.; He, H. P.; Yang, C. M.; Ma, L. Hybrid Functional with Semi-Empirical Van der Waals Study of Native Defects in Hexagonal BN Solid State Commun. 2014, 177, 74-79 10.1016/j.ssc.2013.09.031
    • (2014) Solid State Commun. , vol.177 , pp. 74-79
    • Wang, V.1    Liu, R.J.2    He, H.P.3    Yang, C.M.4    Ma, L.5
  • 40
    • 0001340639 scopus 로고
    • Crystal Field Effects on the Topological Properties of the Electron Density in Molecular Crystals: The Case of Urea
    • Gatti, C.; Saunders, V. R.; Roetti, C. Crystal Field Effects on the Topological Properties of the Electron Density in Molecular Crystals: The Case of Urea J. Chem. Phys. 1994, 101, 10686-10696 10.1063/1.467882
    • (1994) J. Chem. Phys. , vol.101 , pp. 10686-10696
    • Gatti, C.1    Saunders, V.R.2    Roetti, C.3
  • 41
    • 36849115659 scopus 로고
    • Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
    • Ditchfield, R.; Hehre, W. J.; Pople, J. A. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules J. Chem. Phys. 1971, 54, 724-728 10.1063/1.1674902
    • (1971) J. Chem. Phys. , vol.54 , pp. 724-728
    • Ditchfield, R.1    Hehre, W.J.2    Pople, J.A.3
  • 42
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 43
    • 0001475454 scopus 로고    scopus 로고
    • Toward Reliable Density Functional Methods Without Adjustable Parameters: The PBE0 Model
    • Adamo, C.; Barone, V. Toward Reliable Density Functional Methods Without Adjustable Parameters: The PBE0 Model J. Chem. Phys. 1999, 110, 6158-6170 10.1063/1.478522
    • (1999) J. Chem. Phys. , vol.110 , pp. 6158-6170
    • Adamo, C.1    Barone, V.2
  • 44
    • 0000728188 scopus 로고
    • Analysis of Methods for Calculating Spectral Properties in Solids
    • Gilat, G. Analysis of Methods for Calculating Spectral Properties in Solids J. Comput. Phys. 1972, 10, 432-465 10.1016/0021-9991(72)90046-0
    • (1972) J. Comput. Phys. , vol.10 , pp. 432-465
    • Gilat, G.1
  • 45
    • 34248644538 scopus 로고
    • Accurate Numerical Method for Calculating Frequency-Distribution Functions in Solids
    • Gilat, G.; Raubenheimer, L. J. Accurate Numerical Method for Calculating Frequency-Distribution Functions in Solids Phys. Rev. 1966, 144, 390-395 10.1103/PhysRev.144.390
    • (1966) Phys. Rev. , vol.144 , pp. 390-395
    • Gilat, G.1    Raubenheimer, L.J.2
  • 46
    • 4244083989 scopus 로고
    • Erratum: Accurate Numerical Method for Calculating Frequency-Distribution Functions in Solids
    • Gilat, G.; Raubenheimer, L. J. Erratum: Accurate Numerical Method for Calculating Frequency-Distribution Functions in Solids Phys. Rev. 1966, 147, 670 10.1103/PhysRev.147.670.2
    • (1966) Phys. Rev. , vol.147 , pp. 670
    • Gilat, G.1    Raubenheimer, L.J.2
  • 47
    • 1942454763 scopus 로고    scopus 로고
    • The Calculation of the Vibrational Frequencies of Crystalline Compounds and its Implementation in the CRYSTAL Code
    • Pascale, F.; Zicovich-Wilson, C. M.; López Gejo, F.; Civalleri, B.; Orlando, R.; Dovesi, R. The Calculation of the Vibrational Frequencies of Crystalline Compounds and its Implementation in the CRYSTAL Code J. Comput. Chem. 2004, 25, 888-897 10.1002/jcc.20019
    • (2004) J. Comput. Chem. , vol.25 , pp. 888-897
    • Pascale, F.1    Zicovich-Wilson, C.M.2    López Gejo, F.3    Civalleri, B.4    Orlando, R.5    Dovesi, R.6
  • 48
    • 8344242162 scopus 로고    scopus 로고
    • Calculation of the Vibration Frequencies of α-Quartz: The Effect of Hamiltonian and Basis Set
    • Zicovich-Wilson, C. M.; Pascale, F.; Roetti, C.; Saunders, V. R.; Orlando, R.; Dovesi, R. Calculation of the Vibration Frequencies of α-Quartz: The Effect of Hamiltonian and Basis Set J. Comput. Chem. 2004, 25, 1873-1881 10.1002/jcc.20120
    • (2004) J. Comput. Chem. , vol.25 , pp. 1873-1881
    • Zicovich-Wilson, C.M.1    Pascale, F.2    Roetti, C.3    Saunders, V.R.4    Orlando, R.5    Dovesi, R.6
  • 49
    • 84904278712 scopus 로고    scopus 로고
    • Excited State and Charge Dynamics of Hybrid Organic/Inorganic Heterojunctions. II. Experiment
    • Panda, A.; Renshaw, C. K.; Oskooi, A.; Lee, K.; Forrest, S. R. Excited State and Charge Dynamics of Hybrid Organic/Inorganic Heterojunctions. II. Experiment Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 90, 045303 10.1103/PhysRevB.90.045303
    • (2014) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.90 , pp. 045303
    • Panda, A.1    Renshaw, C.K.2    Oskooi, A.3    Lee, K.4    Forrest, S.R.5
  • 50
    • 4243610210 scopus 로고
    • Excitons in Anisotropic Solids: The Model of Fractional-Dimensional Space
    • He, X.-F. Excitons in Anisotropic Solids: The Model of Fractional-Dimensional Space Phys. Rev. B: Condens. Matter Mater. Phys. 1991, 43, 2063-2069 10.1103/PhysRevB.43.2063
    • (1991) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.43 , pp. 2063-2069
    • He, X.-F.1
  • 51
    • 72849120730 scopus 로고    scopus 로고
    • Charge-Transfer Excitons at Organic Semiconductor Surfaces and Interfaces
    • Zhu, X.-Y.; Yang, Q.; Muntwiler, M. Charge-Transfer Excitons at Organic Semiconductor Surfaces and Interfaces Acc. Chem. Res. 2009, 42, 1779-1787 10.1021/ar800269u
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1779-1787
    • Zhu, X.-Y.1    Yang, Q.2    Muntwiler, M.3
  • 52
    • 19944397831 scopus 로고    scopus 로고
    • The Photoconversion Mechanism of Excitonic Solar Cells
    • Gregg, B. A. The Photoconversion Mechanism of Excitonic Solar Cells MRS Bull. 2005, 30, 20-22 10.1557/mrs2005.3
    • (2005) MRS Bull. , vol.30 , pp. 20-22
    • Gregg, B.A.1
  • 53
    • 84867469652 scopus 로고    scopus 로고
    • Van der Waals Density Functional for Solids
    • Björkman, T. Van der Waals Density Functional for Solids Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 165109 10.1103/PhysRevB.86.165109
    • (2012) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.86 , pp. 165109
    • Björkman, T.1
  • 54
    • 9144240095 scopus 로고
    • DREIDING: A Generic Force Field for Molecular Simulations
    • Mayo, S. L.; Olafson, B. D.; Goddard, W. A. DREIDING: a Generic Force Field for Molecular Simulations J. Phys. Chem. 1990, 94, 8897-8909 10.1021/j100389a010
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 55
    • 13844305802 scopus 로고    scopus 로고
    • FINDSYM: Program for Identifying the Space-Group Symmetry of a Crystal
    • Stokes, H. T.; Hatch, D. M. FINDSYM: Program for Identifying the Space-Group Symmetry of a Crystal J. Appl. Crystallogr. 2005, 38, 237-238 10.1107/S0021889804031528
    • (2005) J. Appl. Crystallogr. , vol.38 , pp. 237-238
    • Stokes, H.T.1    Hatch, D.M.2
  • 56
    • 0003454331 scopus 로고    scopus 로고
    • In; Dobson, J. F. Vignale, G. Das, M. P. Springer US: New York, DOI
    • Burke, K.; Perdew, J. P.; Wang, Y. In Electronic Density Functional Theory; Dobson, J. F.; Vignale, G.; Das, M. P., Eds.; Springer US: New York, 1998; DOI: 10.1007/978-1-4899-0316-77, pp 81-111.
    • (1998) Electronic Density Functional Theory , pp. 81-111
    • Burke, K.1    Perdew, J.P.2    Wang, Y.3
  • 57
    • 84886017142 scopus 로고    scopus 로고
    • Unusual Metallic Microporous Boron Nitride Networks
    • Dai, J.; Wu, X.; Yang, J.; Zeng, X. C. Unusual Metallic Microporous Boron Nitride Networks J. Phys. Chem. Lett. 2013, 4, 3484-3488 10.1021/jz4018877
    • (2013) J. Phys. Chem. Lett. , vol.4 , pp. 3484-3488
    • Dai, J.1    Wu, X.2    Yang, J.3    Zeng, X.C.4
  • 58
    • 4544350416 scopus 로고
    • Normal Modes in Hexagonal Boron Nitride
    • Geick, R.; Perry, C. H.; Rupprecht, G. Normal Modes in Hexagonal Boron Nitride Phys. Rev. 1966, 146, 543-547 10.1103/PhysRev.146.543
    • (1966) Phys. Rev. , vol.146 , pp. 543-547
    • Geick, R.1    Perry, C.H.2    Rupprecht, G.3
  • 59
    • 33744610506 scopus 로고
    • Lattice Dynamics of Pyrolytic Graphite
    • Nicklow, R.; Wakabayashi, N.; Smith, H. G. Lattice Dynamics of Pyrolytic Graphite Phys. Rev. B 1972, 5, 4951-4962 10.1103/PhysRevB.5.4951
    • (1972) Phys. Rev. B , vol.5 , pp. 4951-4962
    • Nicklow, R.1    Wakabayashi, N.2    Smith, H.G.3
  • 60
    • 77958161102 scopus 로고    scopus 로고
    • Two-Dimensional Carbon Nanostructures: Fundamental Properties, Synthesis, Characterization, and Potential Applications
    • Wu, Y. H.; Yu, T.; Shen, Z. X. Two-Dimensional Carbon Nanostructures: Fundamental Properties, Synthesis, Characterization, and Potential Applications J. Appl. Phys. 2010, 108, 071301 10.1063/1.3460809
    • (2010) J. Appl. Phys. , vol.108 , pp. 071301
    • Wu, Y.H.1    Yu, T.2    Shen, Z.X.3
  • 61
    • 84915482096 scopus 로고
    • A Relation between Gap Energy and Dielectric Constant in Semiconductors of Diamond Structure
    • Czaja, W.; Gränacher, I. A Relation Between Gap Energy and Dielectric Constant in Semiconductors of Diamond Structure Helv. Phys. Acta 1963, 36, 1073-1080 10.5169/seals-113417
    • (1963) Helv. Phys. Acta , vol.36 , pp. 1073-1080
    • Czaja, W.1    Gränacher, I.2
  • 62
    • 84919797827 scopus 로고    scopus 로고
    • Increasing the Visible Light Absorption of Graphitic Carbon Nitride (Melon) Photocatalysts by Homogeneous Self-Modification with Nitrogen Vacancies
    • Niu, P.; Yin, L.-C.; Yang, Y.-Q.; Liu, G.; Cheng, H.-M. Increasing the Visible Light Absorption of Graphitic Carbon Nitride (Melon) Photocatalysts by Homogeneous Self-Modification with Nitrogen Vacancies Adv. Mater. 2014, 26, 8046-8052 10.1002/adma.201404057
    • (2014) Adv. Mater. , vol.26 , pp. 8046-8052
    • Niu, P.1    Yin, L.-C.2    Yang, Y.-Q.3    Liu, G.4    Cheng, H.-M.5
  • 64
    • 84896889565 scopus 로고    scopus 로고
    • Polaronic Relaxation by Three-Electron Bond Formation in Graphitic Carbon Nitrides
    • Meek, G. A.; Baczewski, A. D.; Little, D. J.; Levine, B. G. Polaronic Relaxation by Three-Electron Bond Formation in Graphitic Carbon Nitrides J. Phys. Chem. C 2014, 118, 4023-4032 10.1021/jp412305y
    • (2014) J. Phys. Chem. C , vol.118 , pp. 4023-4032
    • Meek, G.A.1    Baczewski, A.D.2    Little, D.J.3    Levine, B.G.4
  • 65
    • 84863615819 scopus 로고    scopus 로고
    • 4 in the GW Approximation
    • 4 in the GW Approximation Int. J. Hydrogen Energy 2012, 37, 11072-11080 10.1016/j.ijhydene.2012.04.138
    • (2012) Int. J. Hydrogen Energy , vol.37 , pp. 11072-11080
    • Xu, Y.1    Gao, S.-P.2
  • 67
    • 84893486471 scopus 로고    scopus 로고
    • Assessing Capability of Semiconductors to Split Water Using Ionization Potentials and Electron Affinities only
    • Stevanovic, V.; Lany, S.; Ginley, D. S.; Tumas, W.; Zunger, A. Assessing Capability of Semiconductors to Split Water Using Ionization Potentials and Electron Affinities Only Phys. Chem. Chem. Phys. 2014, 16, 3706-3714 10.1039/c3cp54589j
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 3706-3714
    • Stevanovic, V.1    Lany, S.2    Ginley, D.S.3    Tumas, W.4    Zunger, A.5
  • 68
    • 84949117486 scopus 로고    scopus 로고
    • Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective
    • Butchosa, C.; Guiglion, P.; Zwijnenburg, M. A. Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective J. Phys. Chem. C 2014, 118, 24833-24842 10.1021/jp507372n
    • (2014) J. Phys. Chem. C , vol.118 , pp. 24833-24842
    • Butchosa, C.1    Guiglion, P.2    Zwijnenburg, M.A.3
  • 69
    • 84904105030 scopus 로고    scopus 로고
    • Polymeric Watersplitting Photocatalysts; A Computational Perspective on the Water Oxidation Conundrum
    • Guiglion, P.; Butchosa, C.; Zwijnenburg, M. A. Polymeric Watersplitting Photocatalysts; a Computational Perspective on the Water Oxidation Conundrum J. Mater. Chem. A 2014, 2, 11996 10.1039/C4TA02044H
    • (2014) J. Mater. Chem. A , vol.2 , pp. 11996
    • Guiglion, P.1    Butchosa, C.2    Zwijnenburg, M.A.3
  • 70
    • 0022752527 scopus 로고
    • The Absolute Electrode Potential: An Explanatory Note
    • Trasatti, S. The Absolute Electrode Potential: an Explanatory Note Pure Appl. Chem. 1986, 58, 955-966 10.1351/pac198658070955
    • (1986) Pure Appl. Chem. , vol.58 , pp. 955-966
    • Trasatti, S.1
  • 71
    • 34547382263 scopus 로고    scopus 로고
    • Device Physics of Polymer: Fullerene Bulk Heterojunction Solar Cells
    • Blom, P. W. M.; Mihailetchi, V. D.; Koster, L. J. A.; Markov, D. E. Device Physics of Polymer: Fullerene Bulk Heterojunction Solar Cells Adv. Mater. 2007, 19, 1551-1566 10.1002/adma.200601093
    • (2007) Adv. Mater. , vol.19 , pp. 1551-1566
    • Blom, P.W.M.1    Mihailetchi, V.D.2    Koster, L.J.A.3    Markov, D.E.4
  • 72
    • 0029483704 scopus 로고
    • Polymer Photovoltaic Cells - Enhanced Efficiencies via a Network of Internal Donor-Acceptor Heterojunctions
    • Yu, G.; Gao, J.; Hummelen, J. C.; Wudl, F.; Heeger, A. Polymer Photovoltaic Cells-Enhanced Efficiencies via a Network of Internal Donor-Acceptor Heterojunctions Science 1995, 270, 1789-1791 10.1126/science.270.5243.1789
    • (1995) Science , vol.270 , pp. 1789-1791
    • Yu, G.1    Gao, J.2    Hummelen, J.C.3    Wudl, F.4    Heeger, A.5
  • 73
    • 34248396741 scopus 로고    scopus 로고
    • Conjugated Polymer-Based Organic Solar Cells
    • Gunes, S.; Neugebauer, H.; Sariciftci, N. Conjugated Polymer-Based Organic Solar Cells Chem. Rev. 2007, 107, 1324-1338 10.1021/cr050149z
    • (2007) Chem. Rev. , vol.107 , pp. 1324-1338
    • Gunes, S.1    Neugebauer, H.2    Sariciftci, N.3
  • 74
    • 8544235033 scopus 로고    scopus 로고
    • Conjugated Polymer Photovoltaic Cells
    • Coakley, K. M.; McGehee, M. D. Conjugated Polymer Photovoltaic Cells Chem. Mater. 2004, 16, 4533-4542 10.1021/cm049654n
    • (2004) Chem. Mater. , vol.16 , pp. 4533-4542
    • Coakley, K.M.1    McGehee, M.D.2


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