We report and solidly interpret the infrared spectrum of both pristine and oxidized carbynes embedded in a pure-carbon matrix. The spectra probe separately the effects of oxidation on sp- and on sp2-hybridized carbon, and provide information on the stability of the different structures in an oxidizing atmosphere. The final products are mostly short end-oxidized carbynes anchored with a double bond to sp2 fragments, plus an oxidized sp2 amorphous matrix. Our results have important implications for the realization of carbyne-based nano-electronics devices and highlight the active participation of carbynes in astrochemical reactions where they act as carbon source for the promotion of more complex organic species.
REFERENCES
1.
M.
Liu
, V. I.
Artyukhov
, H.
Lee
, F.
Xu
, and B. I.
Yakobson
, ACS Nano
7
, 10075
(2013
).2.
B.
Akdim
and R.
Pachter
, ACS Nano
5
, 1769
(2011
).3.
O.
Cretu
, A. R.
Botello-Mendez
, I.
Janowska
, C. P.
Huu
, J.-C.
Charlier
, and F.
Banhart
, Nano Lett.
13
, 3487
(2013
).4.
L.
Ravagnan
, N.
Manini
, E.
Cinquanta
, G.
Onida
, D.
Sangalli
, C.
Motta
, M.
Devetta
, A.
Bordoni
, P.
Piseri
, and P.
Milani
, Phys. Rev. Lett.
102
, 245502
(2009
).5.
Y.-D.
Guo
, X.-H.
Yan
, and Y.
Xiao
, RSC Adv.
3
, 16672
(2013
).6.
Z.
Zanolli
, G.
Onida
, and J.-C.
Charlier
, ACS Nano
4
, 5174
(2010
).7.
M. G.
Zeng
, L.
Shen
, Y. Q.
Cai
, Z. D.
Sha
, and Y. P.
Feng
, Appl. Phys. Lett.
96
, 042104
(2010
).8.
W.
Mohr
, J.
Stahl
, F.
Hampel
, and J. A.
Gladysz
, Chem. Eur. J.
9
, 3324
(2003
).9.
X.
Zhao
, Y.
Ando
, Y.
Liu
, M.
Jinno
, and T.
Suzuki
, Phys. Rev. Lett.
90
, 187401
(2003
).10.
K.
Inoue
, R.
Matsutani
, T.
Sanada
, and K.
Kojima
, Carbon
48
, 4209
(2010
).11.
F.
Cataldo
, L.
Ravagnan
, E.
Cinquanta
, I. E.
Castelli
, N.
Manini
, G.
Onida
, and P.
Milani
, J. Phys. Chem. B
114
, 14834
(2010
).12.
L.
Ravagnan
, F.
Siviero
, C.
Lenardi
, P.
Piseri
, E.
Barborini
, and P.
Milani
, Phys. Rev. Lett.
89
, 285506
(2002
).13.
C. S.
Casari
, A.
Li Bassi
, L.
Ravagnan
, F.
Siviero
, C.
Lenardi
, P.
Piseri
, G.
Bongiorno
, C. E.
Bottani
, and P.
Milani
, Phys. Rev. B
69
, 075422
(2004
).14.
L.
Ravagnan
, T.
Mazza
, G.
Bongiorno
, M.
Devetta
, M.
Amati
, P.
Milani
, P.
Piseri
, M.
Coreno
, C.
Lenardi
, F.
Evangelista
, and P.
Rudolf
, Chem. Commun.
47
, 2952
(2011
).15.
W. A.
Chalifoux
and R. R.
Tykwinski
, Nature Chem.
2
, 967
(2010
).16.
C.
Jin
, H.
Lan
, L.
Peng
, K.
Suenaga
, and S.
Iijima
, Phys. Rev. Lett.
102
, 205501
(2009
).17.
A.
Chuvilin
, J. C.
Meyer
, G.
, Algara-Siller
, and Ute
Kaiser
, New J. Phys.
11
, 083019
(2009
).18.
G.
Moras
, L.
Pastewka
, M.
Walter
, J.
Schnagl
, P.
Gumbsch
, and M.
Moseler
, J. Phys. Chem. C
115
, 24653
(2011
).19.
G.
Moras
, L.
Pastewka
, P.
Gumbsch
, and M.
Moseler
, Tribol. Lett.
44
, 355
(2011
).20.
W. W.
Duley
and A.
Hu
, Astrophys. J.
698
, 808
(2009
).21.
R.
Papoular
, Mon. Not. R. Astron. Soc.
434
, 862
(2013
).22.
S.
Kwok
and Y.
Zhang
, Nature (London)
479
, 80
–83
(2011
).23.
M.
Steglich
, C.
Jäger
, F.
Huisken
, M.
Friedrich
, W.
Plass
, H.-J.
Räder
, K.
Müllen
, and T.
Henning
, Astrophys. J. Suppl. Ser.
208
, 26
(2013
).24.
E.
Barborini
, P.
Piseri
, and P.
Milani
, J. Phys. D: Appl. Phys.
32
, L105
(1999
).25.
K.
Wegner
, P.
Piseri
, H.
Vahedi Tafreshi
, and P.
Milani
, J. Phys. D: Appl. Phys.
39
, R439
(2006
).26.
P.
Giannozzi
et al, J. Phys.: Condens. Matter
21
, 395502
(2009
); open source code available at http://www.quantum-espresso.org.27.
S.
Baroni
, S.
de Gironcoli
, A.
Dal Corso
, and P.
Giannozzi
, Rev. Mod. Phys.
73
, 515
(2001
).28.
A. C.
Ferrari
, S. E.
Rodil
, and J.
Robertson
, Phys. Rev. B
67
, 155306
(2003
).29.
R. A.
Friedel
and G. L.
Carlson
, J. Phys. Chem.
75
, 1149
(1971
).30.
E.
Cinquanta
, L.
Ravagnan
, I. E.
Castelli
, F.
Cataldo
, N.
Manini
, G.
Onida
, and P.
Milani
, J. Chem. Phys.
135
, 194501
(2011
).31.
N. R.
Agarwal
, A.
Lucotti
, D.
Fazzi
, M.
Tommasini
, C.
Castiglioni
, W. A.
Chalifoux
, and R. R.
Tykwinski
, J. Raman Spectrosc.
44
, 1398
(2013
).32.
M.
Acik
, G.
Lee
, C.
Mattevi
, A.
Pirkle
, R. M.
Wallace
, M.
Chhowalla
, K.
Cho
, and Y.
Chabal
, J. Phys. Chem. C
115
, 19761
(2011
).33.
A.
Matsuura
, N.
Thrupp
, X.
Gonze
, Y.
Pouillon
, G.
Bruant
, and G.
Onida
, Comput. Sci. Eng.
14
, 22
(2012
).© 2014 AIP Publishing LLC.
2014
AIP Publishing LLC
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