Outstanding elastic, electronic, transport and optical properties of a novel layered material C4F2: first-principles study

Motivated by very recent successful experimental transformation of AB-stacking bilayer graphene into fluorinated single-layer diamond (namely fluorinated diamane C4F2) [P. V. Bakharev, M. Huang, M. Saxena, S. W. Lee, S. H. Joo, S. O. Park, J. Dong, D. C. Camacho-Mojica, S. Jin, Y. Kwon, M. Biswal, F...

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Veröffentlicht in:	RSC advances 2021-07, Vol.11 (38), p.23280-23287
Hauptverfasser:	Vu, Tuan V, Phuc, Huynh V, Ahmad, Sohail, Vo Quang Nha, Chu Van Lanh, Rai, D P, Kartamyshev, A I, Pham, Khang D, Le Cong Nhan, Hieu, Nguyen N
Format:	Artikel
Sprache:	eng
Schlagworte:	Bilayers Chemical bonds Chemistry Density functional theory Diamonds Electric fields Electron mobility First principles Fluorination Graphene Interlayers Lattice parameters Mechanical properties Modulus of elasticity Molecular dynamics Molecular structure Monolayers Optical properties Optoelectronic devices Phase transitions Physical properties Thermal stability
Online-Zugang:	Volltext
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