메뉴 건너뛰기




Volumn 6, Issue 16, 2014, Pages 14724-14728

Tunable indirect to direct band gap transition of monolayer Sc 2CO2 by the strain effect

Author keywords

DFT; indirect to direct band gap transition; MXene; optical nanodevice; strain

Indexed keywords

DENSITY FUNCTIONAL THEORY; MONOLAYERS; NANOSTRUCTURED MATERIALS; STRAIN;

EID: 84906815197     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am504233d     Document Type: Article
Times cited : (185)

References (45)
  • 1
    • 67649225738 scopus 로고    scopus 로고
    • Graphene: Status and Prospects
    • Geim, A. K. Graphene: Status and Prospects Science 2009, 324, 1530-1534
    • (2009) Science , vol.324 , pp. 1530-1534
    • Geim, A.K.1
  • 3
    • 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
  • 4
    • 84885111012 scopus 로고    scopus 로고
    • Recent Advances in Free-Standing Two-Dimensional Crystals with Atomic Thickness: Design, Assembly, and Transfer Strategies
    • Zhang, X.; Xie, Y. Recent Advances in Free-Standing Two-Dimensional Crystals with Atomic Thickness: Design, Assembly, and Transfer Strategies Chem. Soc. Rev. 2013, 42, 8187-8199
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 8187-8199
    • Zhang, X.1    Xie, Y.2
  • 5
    • 84878282390 scopus 로고    scopus 로고
    • The New Skinny in Two-Dimensional Nanomaterials
    • Koski, K. J.; Cui, Y. The New Skinny in Two-Dimensional Nanomaterials ACS Nano 2013, 7, 3739-3743
    • (2013) ACS Nano , vol.7 , pp. 3739-3743
    • Koski, K.J.1    Cui, Y.2
  • 8
    • 84887070856 scopus 로고    scopus 로고
    • New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries
    • Naguib, M.; Halim, J.; Lu, J.; Cook, K. M.; Hultman, L.; Gogotsi, Y.; Barsoum, M. W. New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries J. Am. Chem. Soc. 2013, 135, 15966-15969
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 15966-15969
    • Naguib, M.1    Halim, J.2    Lu, J.3    Cook, K.M.4    Hultman, L.5    Gogotsi, Y.6    Barsoum, M.W.7
  • 11
    • 84886373479 scopus 로고    scopus 로고
    • Graphene-like Transition-Metal Nanocarbides and Nanonitrides
    • Ivanovskii, A. L.; Enyashin, A. N. Graphene-like Transition-Metal Nanocarbides and Nanonitrides Russ. Chem. Rev. 2013, 82, 735-746
    • (2013) Russ. Chem. Rev. , vol.82 , pp. 735-746
    • Ivanovskii, A.L.1    Enyashin, A.N.2
  • 12
    • 84894262105 scopus 로고    scopus 로고
    • 25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
    • Naguib, M.; Mochalin, V. N.; Barsoum, M. W.; Gogotsi, Y. 25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials Adv. Mater. 2014, 26, 992-1005
    • (2014) Adv. Mater. , vol.26 , pp. 992-1005
    • Naguib, M.1    Mochalin, V.N.2    Barsoum, M.W.3    Gogotsi, Y.4
  • 17
    • 84864518678 scopus 로고    scopus 로고
    • n (n = 1, 2, and 3) from De-Intercalated MAX Phases: First-Principles Probing of Their Structural, Electronic Properties and Relative Stability
    • n (n = 1, 2, and 3) from De-Intercalated MAX Phases: First-Principles Probing of Their Structural, Electronic Properties and Relative Stability Comput. Mater. Sci. 2012, 65, 104-114
    • (2012) Comput. Mater. Sci. , vol.65 , pp. 104-114
    • Shein, I.1    Ivanovskii, A.2
  • 22
    • 84899057374 scopus 로고    scopus 로고
    • Two Dimensional Nanomaterials for Flexible Supercapacitors
    • Peng, X.; Peng, L.; Wu, C.; Xie, Y. Two Dimensional Nanomaterials for Flexible Supercapacitors Chem. Soc. Rev. 2014, 43, 3303-3323
    • (2014) Chem. Soc. Rev. , vol.43 , pp. 3303-3323
    • Peng, X.1    Peng, L.2    Wu, C.3    Xie, Y.4
  • 23
    • 84896386796 scopus 로고    scopus 로고
    • Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer
    • Ma, Z.; Hu, Z.; Zhao, X.; Tang, Q.; Wu, D.; Zhou, Z.; Zhang, L. Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer J. Phys. Chem. C 2014, 118, 5593-5599
    • (2014) J. Phys. Chem. C , vol.118 , pp. 5593-5599
    • Ma, Z.1    Hu, Z.2    Zhao, X.3    Tang, Q.4    Wu, D.5    Zhou, Z.6    Zhang, L.7
  • 25
    • 84898767649 scopus 로고    scopus 로고
    • Two-Dimensional Molybdenum Carbides: Potential Thermoelectric Materials of the MXene Family
    • Khazaei, M.; Arai, M.; Sasaki, T.; Estili, M.; Sakka, Y. Two-Dimensional Molybdenum Carbides: Potential Thermoelectric Materials of the MXene Family Phys. Chem. Chem. Phys. 2014, 16, 7841-7849
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 7841-7849
    • Khazaei, M.1    Arai, M.2    Sasaki, T.3    Estili, M.4    Sakka, Y.5
  • 29
    • 79961124201 scopus 로고    scopus 로고
    • First-Principles Study of Strain-Induced Modulation of Energy Gaps of Graphene/BN and BN Bilayers
    • Zhong, X.; Yap, Y. K.; Pandey, R.; Karna, S. P. First-Principles Study of Strain-Induced Modulation of Energy Gaps of Graphene/BN and BN Bilayers Phys. Rev. B 2011, 83, 193403
    • (2011) Phys. Rev. B , vol.83 , pp. 193403
    • Zhong, X.1    Yap, Y.K.2    Pandey, R.3    Karna, S.P.4
  • 32
    • 84874603378 scopus 로고    scopus 로고
    • Achieving Direct Band Gap in Germanium through Integration of Sn Alloying and External Strain
    • Gupta, S.; Magyari-Köpe, B.; Nishi, Y.; Saraswat, K. C. Achieving Direct Band Gap in Germanium through Integration of Sn Alloying and External Strain J. Appl. Phys. 2013, 113, 073707
    • (2013) J. Appl. Phys. , vol.113 , pp. 073707
    • Gupta, S.1    Magyari-Köpe, B.2    Nishi, Y.3    Saraswat, K.C.4
  • 35
    • 84897408881 scopus 로고    scopus 로고
    • Band Gap Engineering of SnO2 by Epitaxial Strain: Experimental and Theoretical Investigations
    • Zhou, W.; Liu, Y.; Yang, Y.; Wu, P. Band Gap Engineering of SnO2 by Epitaxial Strain: Experimental and Theoretical Investigations J. Phys. Chem. C 2014, 118, 6448-6453
    • (2014) J. Phys. Chem. C , vol.118 , pp. 6448-6453
    • Zhou, W.1    Liu, Y.2    Yang, Y.3    Wu, P.4
  • 36
    • 77956325971 scopus 로고    scopus 로고
    • Stability Trends of MAX Phases from First Principles
    • Dahlqvist, M.; Alling, B.; Rosén, J. Stability Trends of MAX Phases from First Principles Phys. Rev. B 2010, 81, 220102
    • (2010) Phys. Rev. B , vol.81 , pp. 220102
    • Dahlqvist, M.1    Alling, B.2    Rosén, J.3
  • 37
    • 12844286241 scopus 로고
    • Ab Initio Molecular Dynamics for Liquid Metals
    • Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 38
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab Initio Total Calculations Energy for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, Jü. Efficiency of ab Initio Total Calculations Energy 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, Jü.2
  • 39
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, Jü. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, Jü.2
  • 40
    • 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
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 41
    • 0011236321 scopus 로고    scopus 로고
    • 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
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 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
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 44
    • 84896507285 scopus 로고    scopus 로고
    • Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide
    • Peng, Q.; Guo, J.; Zhang, Q.; Xiang, J.; Liu, B.; Zhou, A.; Liu, R.; Tian, Y. Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide J. Am. Chem. Soc. 2014, 136, 4113-4116
    • (2014) J. Am. Chem. Soc. , vol.136 , pp. 4113-4116
    • Peng, Q.1    Guo, J.2    Zhang, Q.3    Xiang, J.4    Liu, B.5    Zhou, A.6    Liu, R.7    Tian, Y.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.