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Volumn 6, Issue 14, 2015, Pages 2682-2687

Versatile single-layer sodium phosphidostannate(II): Strain-tunable electronic structure, excellent mechanical flexibility, and an ideal gap for photovoltaics

Author keywords

density functional theory; mechanical exfoliation; optical properties; strain effects; two dimensional materials

Indexed keywords

ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC STRUCTURE; ENERGY GAP; HYBRID MATERIALS; LIGHT ABSORPTION; MONOLAYERS; OPTICAL PROPERTIES; SEMICONDUCTOR DEVICES; SODIUM; SOLAR CELLS; SOLAR POWER GENERATION;

EID: 84937147074     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01136     Document Type: Article
Times cited : (75)

References (49)
  • 2
    • 84867477820 scopus 로고    scopus 로고
    • Highly Concentrated Aqueous Suspensions of Graphene through Ultrasonic Exfoliation with Continuous Surfactant Addition
    • Notley, S. M. Highly Concentrated Aqueous Suspensions of Graphene through Ultrasonic Exfoliation with Continuous Surfactant Addition Langmuir 2012, 28, 14110-14113
    • (2012) Langmuir , vol.28 , pp. 14110-14113
    • Notley, S.M.1
  • 7
    • 84879427593 scopus 로고    scopus 로고
    • Graphene-Analogous Low-Dimensional Materials
    • Tang, Q.; Zhou, Z. Graphene-Analogous Low-Dimensional Materials Prog. Mater. Sci. 2013, 58, 1244-1315
    • (2013) Prog. Mater. Sci. , vol.58 , pp. 1244-1315
    • Tang, Q.1    Zhou, Z.2
  • 9
    • 77957204738 scopus 로고    scopus 로고
    • Atomically Thin MoS2: A New Direct-Gap Semiconductor
    • Mak, K. F.; Lee, C.; Hone, J.; Shan, J.; Heinz, T. F. Atomically Thin MoS2: A New Direct-Gap Semiconductor Phys. Rev. Lett. 2010, 105, 136805
    • (2010) Phys. Rev. Lett. , vol.105 , pp. 136805
    • Mak, K.F.1    Lee, C.2    Hone, J.3    Shan, J.4    Heinz, T.F.5
  • 10
    • 84880781547 scopus 로고    scopus 로고
    • Two-Dimensional Crystals: Managing Light for Optoelectronics
    • Eda, G.; Maier, S. A. Two-Dimensional Crystals: Managing Light for Optoelectronics ACS Nano 2013, 7, 5660-5665
    • (2013) ACS Nano , vol.7 , pp. 5660-5665
    • Eda, G.1    Maier, S.A.2
  • 12
    • 84887064844 scopus 로고    scopus 로고
    • High-Responsivity Graphene/Silicon-Heterostructure Waveguide Photodetectors
    • Wang, X.; Cheng, Z.; Xu, K.; Tsang, H. K.; Xu, J.-B. High-Responsivity Graphene/Silicon-Heterostructure Waveguide Photodetectors Nat. Photonics 2013, 7, 888-891
    • (2013) Nat. Photonics , vol.7 , pp. 888-891
    • Wang, X.1    Cheng, Z.2    Xu, K.3    Tsang, H.K.4    Xu, J.-B.5
  • 13
    • 84881167566 scopus 로고    scopus 로고
    • Van der Waals Heterostructures
    • Geim, A. K.; Grigorieva, I. V. Van der Waals Heterostructures Nature 2013, 499, 419-425
    • (2013) Nature , vol.499 , pp. 419-425
    • Geim, A.K.1    Grigorieva, I.V.2
  • 14
    • 84904440154 scopus 로고    scopus 로고
    • Graphene, Inorganic Graphene Analogs and Their Composites for Lithium Ion Batteries
    • Jing, Y.; Zhou, Z.; Cabrera, C. R.; Chen, Z. Graphene, Inorganic Graphene Analogs and Their Composites for Lithium Ion Batteries J. Mater. Chem. A 2014, 2, 12104-12122
    • (2014) J. Mater. Chem. A , vol.2 , pp. 12104-12122
    • Jing, Y.1    Zhou, Z.2    Cabrera, C.R.3    Chen, Z.4
  • 15
    • 84930664758 scopus 로고    scopus 로고
    • Metallic BSi3 Silicene and Its One-Dimensional Derivatives: Unusual Nanomaterials with Planar Aromatic D 6 h Six-Membered Silicon Rings
    • Tan, X.; Li, F.; Chen, Z. Metallic BSi3 Silicene and Its One-Dimensional Derivatives: Unusual Nanomaterials with Planar Aromatic D 6 h Six-Membered Silicon Rings J. Phys. Chem. C 2014, 118, 25825-25835
    • (2014) J. Phys. Chem. C , vol.118 , pp. 25825-25835
    • Tan, X.1    Li, F.2    Chen, Z.3
  • 16
    • 84923379311 scopus 로고    scopus 로고
    • Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions
    • Zhang, S.; Yan, Z.; Li, Y.; Chen, Z.; Zeng, H. Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions Angew. Chem., Int. Ed. 2015, 54, 3112-3115
    • (2015) Angew. Chem., Int. Ed. , vol.54 , pp. 3112-3115
    • Zhang, S.1    Yan, Z.2    Li, Y.3    Chen, Z.4    Zeng, H.5
  • 17
    • 84925939839 scopus 로고    scopus 로고
    • Structural and Electronic Properties of Layered Arsenic and Antimony Arsenide
    • Kou, L.; Ma, Y.; Tan, X.; Frauenheim, T.; Du, A.; Smith, S. Structural and Electronic Properties of Layered Arsenic and Antimony Arsenide J. Phys. Chem. C 2015, 119, 6918-6922
    • (2015) J. Phys. Chem. C , vol.119 , pp. 6918-6922
    • Kou, L.1    Ma, Y.2    Tan, X.3    Frauenheim, T.4    Du, A.5    Smith, S.6
  • 19
    • 78751657827 scopus 로고    scopus 로고
    • Electronic Functionality in Graphene-Based Nanoarchitectures: Discovery and Design via First-Principles Modeling
    • Du, A.; Smith, S. C. Electronic Functionality in Graphene-Based Nanoarchitectures: Discovery and Design via First-Principles Modeling J. Phys. Chem. Lett. 2011, 2, 73-80
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 73-80
    • Du, A.1    Smith, S.C.2
  • 21
    • 84872115141 scopus 로고    scopus 로고
    • High Performance Multilayer MoS2 Transistors with Scandium Contacts
    • Das, S.; Chen, H.-Y.; Penumatcha, A. V.; Appenzeller, J. High Performance Multilayer MoS2 Transistors with Scandium Contacts Nano Lett. 2013, 13, 100-105
    • (2013) Nano Lett. , vol.13 , pp. 100-105
    • Das, S.1    Chen, H.-Y.2    Penumatcha, A.V.3    Appenzeller, J.4
  • 23
    • 84883179670 scopus 로고    scopus 로고
    • Mobility engineering and a Metal-Insulator Transition in Monolayer MoS2
    • Radisavljevic, B.; Kis, A. Mobility engineering and a Metal-Insulator Transition in Monolayer MoS2 Nat. Mater. 2013, 12, 815-820
    • (2013) Nat. Mater. , vol.12 , pp. 815-820
    • Radisavljevic, B.1    Kis, A.2
  • 25
    • 84884266448 scopus 로고    scopus 로고
    • Controlled, Defect-Guided, Metal-Nanoparticle Incorporation onto MoS2 via Chemical and Microwave Routes: Electrical, Thermal, and Structural Properties
    • Sreeprasad, T. S.; Nguyen, P.; Kim, N.; Berry, V. Controlled, Defect-Guided, Metal-Nanoparticle Incorporation onto MoS2 via Chemical and Microwave Routes: Electrical, Thermal, and Structural Properties Nano Lett. 2013, 13, 4434-4441
    • (2013) Nano Lett. , vol.13 , pp. 4434-4441
    • Sreeprasad, T.S.1    Nguyen, P.2    Kim, N.3    Berry, V.4
  • 26
    • 0023327987 scopus 로고
    • Puckered Hexagonal Nets in 2[Sn3/3As 3/3-] and 2[Sn3/3Sb 3/3-]
    • Lii, K. H.; Haushalter, R. C. Puckered Hexagonal Nets in 2[Sn3/3As 3/3-] and 2[Sn3/3Sb 3/3-] J. Solid State Chem. 1987, 67, 374-378
    • (1987) J. Solid State Chem. , vol.67 , pp. 374-378
    • Lii, K.H.1    Haushalter, R.C.2
  • 29
    • 33646040092 scopus 로고    scopus 로고
    • Yb14MnSb11: New High Efficiency Thermoelectric Material for Power Generation
    • Brown, S. R.; Kauzlarich, S. M.; Gascoin, F.; Snyder, G. J. Yb14MnSb11: New High Efficiency Thermoelectric Material for Power Generation Chem. Mater. 2006, 18, 1873-1877
    • (2006) Chem. Mater. , vol.18 , pp. 1873-1877
    • Brown, S.R.1    Kauzlarich, S.M.2    Gascoin, F.3    Snyder, G.J.4
  • 30
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 31
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 32
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 33
    • 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
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207-8215
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 34
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the Exchange Screening Parameter on the Performance of Screened Hybrid Functionals
    • Krukau, A. V.; Vydrov, O. A.; Izmaylov, A. F.; Scuseria, G. E. Influence of the Exchange Screening Parameter on the Performance of Screened Hybrid Functionals J. Chem. Phys. 2006, 125, 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
  • 35
    • 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
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 36
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 37
    • 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
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 38
    • 0035535380 scopus 로고    scopus 로고
    • Phonons and Related Crystal Properties from Density-Functional Perturbation Theory
    • Baroni, S.; de Gironcoli, S.; Dal Corso, A.; Giannozzi, P. Phonons and Related Crystal Properties from Density-Functional Perturbation Theory Rev. Mod. Phys. 2001, 73, 515-562
    • (2001) Rev. Mod. Phys. , vol.73 , pp. 515-562
    • Baroni, S.1    De Gironcoli, S.2    Dal Corso, A.3    Giannozzi, P.4
  • 40
    • 0000478274 scopus 로고    scopus 로고
    • First-Principles Total-Energy Calculations for Planar Shear and Cleavage Decohesion Processes in B2-Ordered NiAl and FeAl
    • Medvedeva, N. I.; Mryasov, O. N.; Gornostyrev, Y. N.; Novikov, D. L.; Freeman, A. J. First-Principles Total-Energy Calculations for Planar Shear and Cleavage Decohesion Processes in B2-Ordered NiAl and FeAl Phys. Rev. B 1996, 54, 13506-13514
    • (1996) Phys. Rev. B , vol.54 , pp. 13506-13514
    • Medvedeva, N.I.1    Mryasov, O.N.2    Gornostyrev, Y.N.3    Novikov, D.L.4    Freeman, A.J.5
  • 41
    • 84923061669 scopus 로고    scopus 로고
    • Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design
    • Zhao, S.; Li, Z.; Yang, J. Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design J. Am. Chem. Soc. 2014, 136, 13313-13318
    • (2014) J. Am. Chem. Soc. , vol.136 , pp. 13313-13318
    • Zhao, S.1    Li, Z.2    Yang, J.3
  • 42
    • 42749102313 scopus 로고    scopus 로고
    • Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons
    • Zacharia, R.; Ulbricht, H.; Hertel, T. Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons Phys. Rev. B 2004, 69, 155406
    • (2004) Phys. Rev. B , vol.69 , pp. 155406
    • Zacharia, R.1    Ulbricht, H.2    Hertel, T.3
  • 44
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
    • Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Science 2008, 321, 385-388
    • (2008) Science , vol.321 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 45
    • 84862234293 scopus 로고    scopus 로고
    • Ideal Strength and Phonon Instability in Single-Layer MoS2
    • Li, T. Ideal Strength and Phonon Instability in Single-Layer MoS2 Phys. Rev. B 2012, 85, 235407
    • (2012) Phys. Rev. B , vol.85 , pp. 235407
    • Li, T.1
  • 46
    • 84899824880 scopus 로고    scopus 로고
    • Atomistic Modeling of Mechanical Properties of Polycrystalline Graphene
    • Bohayra, M.; Gianaurelio, C. Atomistic Modeling of Mechanical Properties of Polycrystalline Graphene Nanotechnology 2014, 25, 215704
    • (2014) Nanotechnology , vol.25 , pp. 215704
    • Bohayra, M.1    Gianaurelio, C.2
  • 47
    • 79952907945 scopus 로고    scopus 로고
    • Accurate Band Gaps for Semiconductors from Density Functional Theory
    • Xiao, H.; Tahir-Kheli, J.; Goddard, W. A. Accurate Band Gaps for Semiconductors from Density Functional Theory J. Phys. Chem. Lett. 2011, 2, 212-217
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 212-217
    • Xiao, H.1    Tahir-Kheli, J.2    Goddard, W.A.3
  • 48
    • 84870655918 scopus 로고    scopus 로고
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.