Abstract
The thermal stability of hydrogen clusters disposed on surfaces of graphene and the Stone–Wales graphene that is a graphene allotrope discovered recently is studied by the molecular dynamics method. The studies are performed for hydrogen rings consisting of five, six, and seven atoms and also compact clusters consisting of 16 hydrogen atoms adsorbed on these carbon structures. The hydrogen cluster decay channels and the temperature dependences of their lifetimes are determined. The binding energies and the frequency factors in the Arrhenius law are found.
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REFERENCES
K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science (Washington, DC, U. S.) 306, 666 (2004).
K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, M. I. Katsnelson, I. V. Grigorieva, S. V. Dubonos, and A. A. Firsov, Nature (London, U.K.) 438, 197 (2005).
A. E. Galashev and O. R. Rakhmanova, Phys. Usp. 57, 970 (2014).
J. O. Sofo, A. S. Chaudhari, and G. D. Barber, Phys. Rev. B 75, 153401 (2007).
D. C. Elias, R. R. Nair, T. M. G. Mohiuddin, S. V. Morozov, P. Blake, M. P. Halsall, A. C. Ferrari, D. W. Boukhvalov, M. I. Katsnelson, A. K. Geim, and K. S. Novoselov, Science (Washington, DC, U. S.) 323, 610 (2009).
Y. Li, L. Xu, H. Liu, and Y. Li, Chem. Soc. Rev. 43, 2572 (2014).
Y. Gao, T. Cao, F. Cellini, C. Berger, W. A. de Heer, E. Tosatti, E. Riedo, and A. Bongiorno, Nat. Nanotechnol. 13, 133 (2018).
P. V. Bakharev, M. Huang, M. Saxena, S. W. Lee, S. H. Joo, S. O. Park, J. Dong, D. Camacho-Mojica, S. Ji, Y. Kwon, M. Biswal, F. Ding, S. K. Kwak, Z. Lee, and R. S. Ruoff, https://arxiv.org/ftp/arxiv/papers/1901/1901.02131.pdf (2019).
L. A. Chernozatonskii, P. B. Sorokin, A. G. Kvashnin, and D. G. Kvashnin, JETP Lett. 90, 134 (2009).
J. Zhou, Q. Wang, Q. Sun, X. C. Chen, Y. Kawazoe, and P. Jena, Nano Lett. 9, 3867 (2009).
X.-L. Sheng, H.-J. Cui, F. Ye, Q.-B. Yan, Q.-R. Zheng, and G. Su, J. Appl. Phys. 112, 074315 (2012).
Y. Liu, G. Wang, Q. Huang, L. Guo, and X. Chen, Phys. Rev. Lett. 108, 225505 (2012).
Z. Wang, X.-F. Zhou, X. Zhang, Q. Zhu, H. Dong, M. Zhao, and A. R. Oganov, Nano Lett. 15, 6182 (2015).
S. Zhang, J. Zhou, Q. Wang, X. Chen, Y. Kawazoe, and P. Jena, Proc. Natl. Acad. Sci. U. S. A. 112, 2372 (2015).
E. A. Belenkov, V. V. Mavrinskii, T. E. Belenkova, and V. M. Chernov, J. Exp. Theor. Phys. 120, 820 (2015).
H. Einollahzadeh, S. M. Fazeli, and R. S. Dariani, Sci. Technol. Adv. Mater. 17, 610 (2017).
G. M. de Araújo, L. Codognoto, and F. R. Simões, J. Solids State Electrochem. 24, 1857 (2020). https://doi.org/10.1007/s10008-020-04517-1
X. Li, Q. Wang, and P. Jena, J. Phys. Chem. Lett. 8, 3234 (2017).
W. Zhang, C. Chai, Q. Fan, Y. Song, and Y. Yang, Chem. NanoMater 6, 139 (2020).
C. Kou, Y. Tian, M. Zhang, E. Zurek, X. Qu, X. Wang, K. Yin, Y. Yan, L. Gao, M. Lu, and W. Yang, 2D Mater. 7, 025047 (2020).
J. Liu and H. Lu, RSC Adv. 9, 34481 (2019).
H. Yin, X. Shi, C. He, M. Martinez-Canales, J. Li, C. J. Pickard, C. Tang, T. Ouyang, C. Zhang, and J. Zhong, Phys. Rev. B 99, 041405 (2019).
A. J. Stone and D. J. Wales, Chem. Phys. Lett. 128, 501 (1986).
A. I. Podlivaev, JETP Lett. 110, 691 (2019).
S. Lebègue, M. Klintenberg, O. Eriksson, and M. I. Katsnelson, Phys. Rev. B 79, 245117 (2009).
A. I. Podlivaev and L. A. Openov, JETP Lett. 106, 110 (2017).
X. Huang, M. Ma, L. Cheng, and L. Liu, Phys. E (Amsterdam, Neth.) 115, 113701 (2020).
L. A. Openov and A. I. Podlivaev, JETP Lett. 90, 459 (2009).
L. A. Chernozatonskii, P. B. Sorokin, E. E. Belova, J. Bruning, and A. S. Fedorov, JETP Lett. 85, 77 (2007).
A. I. Podlivaev, JETP Lett. 111, 613 (2020).
E. M. Pearson, T. Halicioglu, and W. A. Tiller, Phys. Rev. A 32, 3030 (1985).
C. Xu and G. E. Scuseria, Phys. Rev. Lett. 72, 669 (1994).
J. Jellinek and A. Goldberg, J. Chem. Phys. 113, 2570 (2000).
C. E. Klots, Z. Phys. D 20, 105 (1991).
J. V. Andersen, E. Bonderup, and K. Hansen, J. Chem. Phys. 114, 6518 (2001).
M. M. Maslov, A. I. Podlivaev, and K. P. Katin, Mol. Simul. 42, 305 (2016).
K. P. Katin and M. M. Maslov, J. Phys. Chem. Solids 108, 82 (2017).
K. P. Katin, S. A. Shostachenko, A. I. Avhadieva, and M. M. Maslov, Adv. Phys. Chem. 2015, 506894 (2015).
A. I. Podlivaev and L. A. Openov, Phys. Solid State 60, 162 (2018).
L. A. Openov and A. I. Podlivaev, Phys. Solid State 60, 799 (2018).
L. A. Openov and A. I. Podlivaev, JETP Lett. 109, 710 (2019).
L. A. Openov and A. I. Podlivaev, Semiconductors 53, 717 (2019).
I. Yu. Dolinskii, K. P. Katin, K. S. Grishakov, V. S. Prudkovskii, N. I. Kargin, and M. M. Maslov, Phys. Solid State 60, 821 (2018).
K. P. Katin, K. S. Grishakov, A. I. Podlivaev, and M. M. Maslov, J. Chem. Theory Comp. 16, 2065 (2020).
V. M. Bedanov, G. V. Gadiyak, and Yu. E. Lozovik, Phys. Lett. A 109, 289 (1985).
J. H. Los, K. V. Zakharchenko, M. I. Katsnelson, and A. Fasolino, Phys. Rev. B 91, 045415 (2015).
L. A. Openov and A. I. Podlivaev, Phys. Solid State 58, 847 (2016).
A. J. M. Nascimento, and R. W. Nunes, Nanotechnology 24, 435707 (2013).
A. I. Podlivaev and L. A. Openov, Phys. Solid State 57, 2562 (2015).
Funding
This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00278-a) and the Ministry of Science and Higher Education of the Russian Federation (the Program of enhancing the competition ability of the National Research Nuclear University MIFI).
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Translated by Yu. Ryzhkov
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Podlivaev, A.I. Decay Dynamics of Hydrogen Clusters on Surfaces of Graphene and Stone–Wales Graphene. Phys. Solid State 62, 2452–2458 (2020). https://doi.org/10.1134/S1063783420120227
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DOI: https://doi.org/10.1134/S1063783420120227