Molecular dynamics simulations of MXenes: Ab initio, reactive, and non-reactive empirical force fields

Roghayyeh Lotfi, Dundar E. Yilmaz, Lukas Vlcek, Adri van Duin

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Original language	English (US)
Title of host publication	2D Metal Carbides and Nitrides (MXenes)
Subtitle of host publication	Structure, Properties and Applications
Publisher	Springer International Publishing
Pages	137-157
Number of pages	21
ISBN (Electronic)	9783030190262
ISBN (Print)	9783030190255
DOIs	https://doi.org/10.1007/978-3-030-19026-2_9
State	Published - Oct 30 2019

All Science Journal Classification (ASJC) codes

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title = "Molecular dynamics simulations of MXenes: Ab initio, reactive, and non-reactive empirical force fields",

author = "Roghayyeh Lotfi and Yilmaz, {Dundar E.} and Lukas Vlcek and {van Duin}, Adri",

year = "2019",

month = oct,

day = "30",

doi = "10.1007/978-3-030-19026-2_9",

language = "English (US)",

isbn = "9783030190255",

pages = "137--157",

booktitle = "2D Metal Carbides and Nitrides (MXenes)",

publisher = "Springer International Publishing",

}

TY - CHAP

T1 - Molecular dynamics simulations of MXenes

T2 - Ab initio, reactive, and non-reactive empirical force fields

AU - Lotfi, Roghayyeh

AU - Yilmaz, Dundar E.

AU - Vlcek, Lukas

AU - van Duin, Adri

PY - 2019/10/30

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M3 - Chapter

AN - SCOPUS:85086622744

SN - 9783030190255

SP - 137

EP - 157

BT - 2D Metal Carbides and Nitrides (MXenes)

PB - Springer International Publishing

ER -