AB INITIOSIMULATIONS OF P-TYPE POROUS SILICON NANOSTRUCTURES

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LANDA LOUSTAU EMILYE ROSAS; DEL RIO JOSE A.; TAGUENA MARTINEZ JULIA; SANSORES LUIS E.; NAVA ROCIO

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Journal: JOURNAL OF NANOSTRUCTURE IN CHEMISTRY Year:2013 | Volume:3 | Issue:3 Page(s): 0-0

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Title

AB INITIOSIMULATIONS OF P-TYPE POROUS SILICON NANOSTRUCTURES

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Keywords

POROUS SILICON

NANOMATERIALS

COMPUTATIONAL SIMULATIONS

Abstract

The morphology of POROUS SILICON (p-Si) depends on several parameters such as the doping type and the carriers’ concentration of the crystalline silicon substrate. The electrolytes used in the p- Si fabrication also have an important role. The final structure determines if p-Si is luminescent or suitable for photonic applications. Experimental results on p-Si produced by electrochemical etching show that although the carriers are greatly reduced by the etching process, boron atoms remain in the bulk. The study of p-type POROUS SILICON nanostructures by means of anab initio computational simulation might help to understand how boron atoms influence the p-Si final structure. Here, we report electronic and topological properties of ten p-type POROUS SILICON structures as an extension of our previous paper on p-type crystalline silicon. Our results suggest that the boron atoms can not remain bonded on the porous surface but do so in the bulk. The presence of impurities changes the bond distance of their neighbors within a radius of 5 Ao. The energy of the models is essentially the same for all the boron positions in the silicon backbone. The high electronic density around the boron impurity could influence the trajectory of an HF ion entering a p-Si pore during the fabrication process.

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APA: Copy

LANDA LOUSTAU, EMILYE ROSAS, DEL RIO, JOSE A., TAGUENA MARTINEZ, JULIA, SANSORES, LUIS E., & NAVA, ROCIO. (2013). AB INITIOSIMULATIONS OF P-TYPE POROUS SILICON NANOSTRUCTURES. JOURNAL OF NANOSTRUCTURE IN CHEMISTRY, 3(3), 0-0. SID. https://sid.ir/paper/333121/en

Vancouver: Copy

LANDA LOUSTAU EMILYE ROSAS, DEL RIO JOSE A., TAGUENA MARTINEZ JULIA, SANSORES LUIS E., NAVA ROCIO. AB INITIOSIMULATIONS OF P-TYPE POROUS SILICON NANOSTRUCTURES. JOURNAL OF NANOSTRUCTURE IN CHEMISTRY[Internet]. 2013;3(3):0-0. Available from: https://sid.ir/paper/333121/en

IEEE: Copy

EMILYE ROSAS LANDA LOUSTAU, JOSE A. DEL RIO, JULIA TAGUENA MARTINEZ, LUIS E. SANSORES, and ROCIO NAVA, “AB INITIOSIMULATIONS OF P-TYPE POROUS SILICON NANOSTRUCTURES,” JOURNAL OF NANOSTRUCTURE IN CHEMISTRY, vol. 3, no. 3, pp. 0–0, 2013, [Online]. Available: https://sid.ir/paper/333121/en

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