Journal of Physical Chemistry C

, volume 122 , issue 41 , pages 23515-23527

Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules

Federico A Soria ¹

Weiwei Zhang ²

P Paredes-Olivera ¹

Adri C. Van Duin ²

E. M. Patrito ¹

Hide authors affiliations Show authors affiliations: 2 affiliations

UNIVERSIDAD NACIONAL DE CÓRDOBA |

Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States |

Publication type: Journal Article

Publication date: 2018-09-26

American Chemical Society (ACS)

Journal of Physical Chemistry C

scimago Q1

wos Q3

SJR: 0.914

CiteScore: 6.2

Impact factor: 3.2

ISSN: 19327447, 19327455

DOI: 10.1021/acs.jpcc.8b07075

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Surfaces, Coatings and Films

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

General Energy

Abstract

In this work, we developed Si/C/H ReaxFF force field for the study of the functionalization and decomposition of alkyl monolayers on silicon surface. The parameterization was performed based on the...

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GOST |

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GOST Copy

Soria F. A. et al. Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules // Journal of Physical Chemistry C. 2018. Vol. 122. No. 41. pp. 23515-23527.

GOST all authors (up to 50) Copy

Soria F. A., Zhang W., Paredes-Olivera P., Van Duin A. C., Patrito E. M. Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules // Journal of Physical Chemistry C. 2018. Vol. 122. No. 41. pp. 23515-23527.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1021/acs.jpcc.8b07075

UR - https://doi.org/10.1021/acs.jpcc.8b07075

TI - Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules

T2 - Journal of Physical Chemistry C

AU - Soria, Federico A

AU - Zhang, Weiwei

AU - Paredes-Olivera, P

AU - Van Duin, Adri C.

AU - Patrito, E. M.

PY - 2018

DA - 2018/09/26

PB - American Chemical Society (ACS)

SP - 23515-23527

IS - 41

VL - 122

SN - 1932-7447

SN - 1932-7455

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2018_Soria,

author = {Federico A Soria and Weiwei Zhang and P Paredes-Olivera and Adri C. Van Duin and E. M. Patrito},

title = {Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules},

journal = {Journal of Physical Chemistry C},

year = {2018},

volume = {122},

publisher = {American Chemical Society (ACS)},

month = {sep},

url = {https://doi.org/10.1021/acs.jpcc.8b07075},

number = {41},

pages = {23515--23527},

doi = {10.1021/acs.jpcc.8b07075}

}

MLA

Cite this

MLA Copy

Soria, Federico A., et al. “Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules.” Journal of Physical Chemistry C, vol. 122, no. 41, Sep. 2018, pp. 23515-23527. https://doi.org/10.1021/acs.jpcc.8b07075.

Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry C

scimago Q1

wos Q3

SJR

0.914

CiteScore

6.2

Impact factor

3.2

ISSN

19327447 (Print)

19327455 (Electronic)