AbInitio Studyof Mono-Layer Graphene as an Electronicalor Optical Sensor for Detecting Atoms in the Second Row of the Periodic Table

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GOUDARZI M.; Tahamtan Sh.

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Journal Paper

Paper Information

Journal: اپتوالکترونیک Year:2022 | Volume:4 | Issue:1 (10) Page(s): 87-94

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Information Journal Paper

Title

AbInitio Studyof Mono-Layer Graphene as an Electronicalor Optical Sensor for Detecting Atoms in the Second Row of the Periodic Table

Author(s)

GOUDARZI M. | Tahamtan Sh. | Issue Writer Certificate

Keywords

Density Functional Theory(DFT)

Mono Layer Graphene

Structural and Optical Properties

Abstract

Using first principles calculation, we investigated electronic and optical properties of grapheme with B, N, O and F adsorption. For the adatom, the distortion of the grapheme layer is quite significant and cause to change hybridizationfrom sp2 to sp3. We also found that B, F and O adsorptions are n-type, p-type and direct semiconductor respectively while N adsorption has a metal behavior. N absorbed grapheme showed magnetic moment, while B, O and F absorbed graphene exhibit no magnetic moment. The absorption spectrum of monolayer grapheme have been calculated for the cases of in plane($ ⊥,%), out of plane($‖, %)polarization of light and 45°,to the plane of grapheme layer and compared with atom adsorption on grapheme and it was observed that for the case of ($ ⊥,%) the grapheme is an optical sensor for finding F atom and in the case of ($‖, %) it is an optical sensor to find B atom in environment.

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APA: Copy

GOUDARZI, M., & Tahamtan, Sh.. (2022). AbInitio Studyof Mono-Layer Graphene as an Electronicalor Optical Sensor for Detecting Atoms in the Second Row of the Periodic Table. OPTOELECTRONIC, 4(1 (10) ), 87-94. SID. https://sid.ir/paper/1039943/en

Vancouver: Copy

GOUDARZI M., Tahamtan Sh.. AbInitio Studyof Mono-Layer Graphene as an Electronicalor Optical Sensor for Detecting Atoms in the Second Row of the Periodic Table. OPTOELECTRONIC[Internet]. 2022;4(1 (10) ):87-94. Available from: https://sid.ir/paper/1039943/en

IEEE: Copy

M. GOUDARZI, and Sh. Tahamtan, “AbInitio Studyof Mono-Layer Graphene as an Electronicalor Optical Sensor for Detecting Atoms in the Second Row of the Periodic Table,” OPTOELECTRONIC, vol. 4, no. 1 (10) , pp. 87–94, 2022, [Online]. Available: https://sid.ir/paper/1039943/en

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