FIRST PRINCIPLES STUDIES ON BAND STRUCTURES AND DENSITY OF STATES OF GRAPHITE SURFACE OXIDES

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SYARIF N.

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Journal Paper

Paper Information

Journal: INTERNATIONAL JOURNAL OF NANO DIMENSION Year:2013 | Volume:4 | Issue:1 (13) Page(s): 57-62

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Title

FIRST PRINCIPLES STUDIES ON BAND STRUCTURES AND DENSITY OF STATES OF GRAPHITE SURFACE OXIDES

Author(s)

SYARIF N. | Issue Writer Certificate

Keywords

GRAPHITE OXIDES

BAND STRUCTURE

DENSITY OF STATES

LOCAL DENSITY APPROXIMATION

FIRST-PRINCIPLES

Abstract

Graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. Structural and electronic properties for graphite-oxygen complexes have been explored using ﬁrst-principles total-energy calculations within the local density approximation (LDA). Band structures and density of states for the propose carbon 3D models are reported. A ﬁnite energy gap and planarity of graphene layer emerges for the oxygen-functionalized graphite, therefore its value varies with the ratio of carbon to oxygen and sites on carbon network.

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Cites

SHORT COMMUNICATION: CONDUCTANCE OF T-SHAPED GRAPHENE NANODEVICE WITH SINGLE DISORDER

References

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APA: Copy

SYARIF, N.. (2013). FIRST PRINCIPLES STUDIES ON BAND STRUCTURES AND DENSITY OF STATES OF GRAPHITE SURFACE OXIDES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), 4(1 (13)), 57-62. SID. https://sid.ir/paper/322162/en

Vancouver: Copy

SYARIF N.. FIRST PRINCIPLES STUDIES ON BAND STRUCTURES AND DENSITY OF STATES OF GRAPHITE SURFACE OXIDES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND)[Internet]. 2013;4(1 (13)):57-62. Available from: https://sid.ir/paper/322162/en

IEEE: Copy

N. SYARIF, “FIRST PRINCIPLES STUDIES ON BAND STRUCTURES AND DENSITY OF STATES OF GRAPHITE SURFACE OXIDES,” INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), vol. 4, no. 1 (13), pp. 57–62, 2013, [Online]. Available: https://sid.ir/paper/322162/en

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