메뉴 건너뛰기




Volumn 117, Issue 29, 2013, Pages 15362-15368

First-principles investigation on structural and optical properties of M+@C60 (Where M = H, Li, Na, and K)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METAL ATOMS; CALCULATED SPECTRUM; ENVIRONMENT EFFECTS; FIRST-PRINCIPLES INVESTIGATIONS; MANY BODY PERTURBATION THEORY; PHOTOABSORPTION SPECTRA; PHOTOEMISSION SPECTRA; STRUCTURAL AND OPTICAL PROPERTIES;

EID: 84880802154     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4041259     Document Type: Article
Times cited : (23)

References (28)
  • 3
    • 77954937164 scopus 로고    scopus 로고
    • 60 Superatoms
    • 60 Superatoms Nat. Chem. 2010, 2, 678-683
    • (2010) Nat. Chem. , vol.2 , pp. 678-683
    • Aoyagi, S.1
  • 6
    • 84859576041 scopus 로고    scopus 로고
    • 60 with Sulfonated Meso-Tetraphenylporphyrins and Long-Lived Photoinduced Charge Separation
    • 60 with Sulfonated Meso-Tetraphenylporphyrins and Long-Lived Photoinduced Charge Separation Chem. Commun. 2012, 48, 4314-4316
    • (2012) Chem. Commun. , vol.48 , pp. 4314-4316
    • Ohkubo, K.1    Kawashima, Y.2    Fukuzumi, S.3
  • 8
    • 36149016819 scopus 로고
    • New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
    • Hedin, L. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem Phys. Rev. 1965, 139, A796-A823
    • (1965) Phys. Rev. , vol.139
    • Hedin, L.1
  • 9
    • 25544479230 scopus 로고
    • Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies
    • Hybertsen, M. S.; Louie, S. G. Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies Phys. Rev. B 1986, 34, 5390-5413
    • (1986) Phys. Rev. B , vol.34 , pp. 5390-5413
    • Hybertsen, M.S.1    Louie, S.G.2
  • 10
    • 79961082947 scopus 로고    scopus 로고
    • First-Principles GW Calculations for Fullerenes, Porphyrins, Phtalocyanine, and Other Molecules of Interest for Organic Photovoltaic Applications
    • Blase, X.; Attaccalite, C.; Olevano, V. First-Principles GW Calculations for Fullerenes, Porphyrins, Phtalocyanine, and Other Molecules of Interest for Organic Photovoltaic Applications Phys. Rev. B 2011, 83, 115103
    • (2011) Phys. Rev. B , vol.83 , pp. 115103
    • Blase, X.1    Attaccalite, C.2    Olevano, V.3
  • 11
    • 36049053908 scopus 로고
    • Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton
    • Sham, L. J.; Rice, T. M. Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton Phys. Rev. 1966, 144, 708-714
    • (1966) Phys. Rev. , vol.144 , pp. 708-714
    • Sham, L.J.1    Rice, T.M.2
  • 12
    • 0000738509 scopus 로고
    • Effects of Dynamical Screening on Resonances at Inner-Shell Thresholds in Semiconductors
    • Strinati, G. Effects of Dynamical Screening on Resonances at Inner-Shell Thresholds in Semiconductors Phys. Rev. B 1984, 29, 5718-5726
    • (1984) Phys. Rev. B , vol.29 , pp. 5718-5726
    • Strinati, G.1
  • 13
    • 4243810484 scopus 로고    scopus 로고
    • Electron-Hole Excitations and Optical Spectra from First Principles
    • Rohlfing, M.; Louie, S. G. Electron-Hole Excitations and Optical Spectra from First Principles Phys. Rev. B 2000, 62, 4927-4944
    • (2000) Phys. Rev. B , vol.62 , pp. 4927-4944
    • Rohlfing, M.1    Louie, S.G.2
  • 14
    • 77951744574 scopus 로고    scopus 로고
    • All-Electron First-Principles GW+Bethe-Salpeter Calculation for Optical Absorption Spectra of Sodium Clusters
    • Noguchi, Y.; Ohno, K. All-Electron First-Principles GW+Bethe-Salpeter Calculation for Optical Absorption Spectra of Sodium Clusters Phys. Rev. A 2010, 81, 045201
    • (2010) Phys. Rev. A , vol.81 , pp. 045201
    • Noguchi, Y.1    Ohno, K.2
  • 16
    • 0347603412 scopus 로고    scopus 로고
    • Solution of Poisson's Equation for Finite Systems Using Plane-Wave Methods
    • Castro, A.; Rubio, A.; Stott, M. J. Solution of Poisson's Equation for Finite Systems Using Plane-Wave Methods Can. J. Phys. 2003, 81, 1151-1164
    • (2003) Can. J. Phys. , vol.81 , pp. 1151-1164
    • Castro, A.1    Rubio, A.2    Stott, M.J.3
  • 20
    • 0001301106 scopus 로고
    • Interactions between Fullerene (C60) and Endohedral Alkali Atoms
    • Dunlap, B. I.; Ballester, J. L.; Schmidt, P. P. Interactions between Fullerene (C60) and Endohedral Alkali Atoms J. Phys. Chem. 1992, 96, 9781-0787
    • (1992) J. Phys. Chem. , vol.96 , pp. 9781-0787
    • Dunlap, B.I.1    Ballester, J.L.2    Schmidt, P.P.3
  • 24
    • 84880765446 scopus 로고    scopus 로고
    • http://en.wikipedia.org/wiki/Ionic-radius.
  • 26
    • 0030282338 scopus 로고    scopus 로고
    • 60 Buckminsterfullerene in the Gas Phase and in Hexane Solution
    • 60 Buckminsterfullerene in the Gas Phase and in Hexane Solution J. Phys. B 1996, 29, 4975-4980
    • (1996) J. Phys. B , vol.29 , pp. 4975-4980
    • Smith, A.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.