Molecular Dynamic Studies and Experimental Methods for Dispersion of Graphene Sheets with Different Strategies

• Hashem Ahmadin Universidad del Zulia
• Karim Zare Depatment of Chemistry, Science and Research Branch, Islamic Azad University
• Majid Monajjemi Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University
• Ali Shamel Department of Chemistry, Ardabil Branch, Islamic Azad University.

DOI: https://doi.org/10.46925//rdluz.29.04

Resumen

Graphene sheets tend to self-associate in microscale aggregates. This occurs in products with less mechanical and electrical action. Recognizing this problem, extensive research has been evidenced in the literature on the development of dispersion technologies, based on both mechanical and chemical approaches. Chemically converted sheets wrapped in surfactants, the ability of surfactants to disperse graphene nanospheres in a medium, was evaluated by different research groups, using both experimental and molecular dynamics (DM) simulation methods; In this article we summarize these methods and techniques. The effect of the influencing factors that count the ions, the pH value and the surfactants in the separation and agglomeration of the gerata sheets is highlighted. Here, we reviewed the recent advances that have been made in the dispersion of graphene sheets in aqueous and organic media by non-covalent adsorption of surfactants and polymers. Graphene structure, properties, and mainly self-assembly are also studied.

Citas

Ahmadin Hashem , et al. (2019). Computational Methods For Graphite Delamination Using Anionic Surfactants To Produce Graphene. Rev. Invest. Univ. Quindío 2019. 31: p. 41-53.

Appel A., Thomann R., and Mülhaupt R. (2012). Polymer, 2012. 22: p. 493.

Bari, R., et al. (2014). Direct exfoliation of graphene in ionic liquids with aromatic groups. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2014. 463: p. 63-69.

Behling, E.; Marín, J.C. (2012). Biodegradación de fenol en un sistema de tratamiento combinado UASB +RBC, Revista de la Universidad del Zulia, 3 (5), 61-81.

Bernal, J.D. (1924). The structure of graphite. Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1924. 106(740): p. 749-773.

Bjork Jonas , et al. (2010). Adsorption of Aromatic and Anti-Aromatic Systems on Graphene through π-π Stacking |J. Phys. Chem. Lett, 2010. 1: p. 3407-3412.

Blanch, A.J., C.E. Lenehan, and J.S. Quinton (2010). Optimizing Surfactant Concentrations for Dispersion of Single-Walled Carbon Nanotubes in Aqueous Solution. J. Phys. Chem. B 2010. 114: p. 9805–9811

Boardman, J., et al. (2008). The Cambridge Ancient History;. Vol. 3. 2008, U.K: Cambridge University Press: Cambridge.

Bourlinos, A., V. Georgakilas, and R.Z. (2006). Theodore Liquid-phase exfoliation of graphite towards solubilized graphenes. Small, 2006. 5(16): p. 1841-1845.

Bunch, J.S., et al. (2007). Electromechanical resonators from graphene sheets. Science, 2007. 315(5811): p. 490-493.

Ciesielski, A., and P. Samorì (2014). Graphene via sonication assisted liquid-phase exfoliation. Chem. Soc. Rev, 2014. 43: p. 381–938

Coleman, J.N. (2012). Liquid exfoliation of defect-free graphene. Accounts of chemical research, 2012. 46(1): p. 14-22.

Du, X., et al. (2008). Approaching ballistic transport in suspended graphene. Nature nanotechnology, 2008. 3(8): p. 491.

Eredia, M., et al. (2017). Morphology and electronic properties of electrochemically exfoliated graphene. The journal of physical chemistry letters, 2017. 8(14): p. 3347-3355.

Haar, S.b., et al. (2016). Liquid-phase exfoliation of graphite into single-and few-layer graphene with α-functionalized alkanes. The journal of physical chemistry letters, 2016. 7(14): p. 2714-2721.

Heard, K.W., et al. (2019). Initial Studies Directed toward the Rational Design of Aqueous Graphene Dispersants. ACS Omega, 2019. 4(1): p. 1969-1981.

Javadian, S. and M. Khosravian (2018). Revealing Factors Governing Self-Assembly Morphology of Fatty Acid on Graphene Synthesized by Surfactant-Assisted LPE: A Joint MD, SAPT (DFT), and Experimental Study. The Journal of Physical Chemistry C, 2018. 122(37): p. 21387-21400.

Li, D., et al. (2008). Processable aqueous dispersions of graphene nanosheets. Nature nanotechnology, 2008. 3(2): p. 101.

Lin, S., et al. (2011). Radical cation Diels–Alder cycloadditions by visible light photocatalysis. Journal of the American Chemical Society, 2011. 133(48): p. 19350-19353.

Liu, N., et al. (2008). One‐step ionic‐liquid‐assisted electrochemical synthesis of ionic‐liquid‐functionalized graphene sheets directly from graphite. Advanced Functional Materials, 2008. 18(10): p. 1518-1525.

Lomeda, J.R., et al. (2008). Diazonium functionalization of surfactant-wrapped chemically converted graphene sheets. Journal of the American Chemical Society, 2008. 130(48): p. 16201-16206.

Monajjemi, M. (2017). Liquid-phase exfoliation (LPE) of graphite towards graphene: An ab initio study. Journal of Molecular Liquids, 2017. 230: p. 461-472.

Morozov, S., et al. (2008). Giant intrinsic carrier mobilities in graphene and its bilayer. Physical review letters, 2008. 100(1): p. 016602.

Nacken, T., et al. (2015). Delamination of graphite in a high pressure homogenizer. Rsc Advances, 2015. 5(71): p. 57328-57338.

Nayaran, R., et al. (2017). Perylene tetracarboxylate surfactant assisted liquid phase exfoliation of graphite into graphene nanosheets with facile re-dispersibility in aqueous/organic polar solvents. Carbon, 2017. 119: p. 555-568.

Novoselov, K.S., et al. (2004). Electric field effect in atomically thin carbon films. science, 2004. 306(5696): p. 666-669.

Porsargol, A.S., et al. (2014). Interactions and structure of ionic liquids on graphene and carbon nanotubes surfaces. Rsc Advances, 2014. 4(35): p. 18017-18024.

Ravula Sudhir , et al. (2015). Ionic liquid-assisted exfoliation and dispersion: stripping graphene and its two-dimensional layered inorganic counterparts of their inhibitions Nanoscale 2015: p. 1-15.

Sabziparvar, A., et al. (2019). Barriers to achieving highly dispersed graphene oxide in cementitious composites: An experimental and computational study. Construction and Building Materials, 2019. 199: p. 269-278.

Stankovich, S., et al. (2006). Graphene-based composite materials. nature. 442(7100): p. 282.

Stankovich, S., et al. (2007). Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide. carbon, 2007. 45(7): p. 1558-1565.

Sun, H. and X. Yang (2014). Molecular simulation of self-assembly structure and interfacial interaction for SDBS adsorption on graphene. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2014. 462: p. 82-89.

Vaisman, L., H.D. Wagner, and G. Marom (2006). The role of surfactants in dispersion of carbon nanotubes. Advances in colloid and interface science, 2006. 128: p. 37-46.

Wang, X., et al. (2010). Direct exfoliation of natural graphite into micrometre size few layers graphene sheets using ionic liquids. Chemical Communications, 2010. 46(25): p. 4487-4489.

Wu, B. and X. Yang (2013). Molecular simulation of electrolyte-induced interfacial interaction between SDS/graphene assemblies. The Journal of Physical Chemistry C, 2013. 117(44): p. 23216-23223.

Wu, D. and X. Yang (2012). Coarse-grained molecular simulation of self-assembly for nonionic surfactants on graphene nanostructures. The Journal of Physical Chemistry B, 2012. 116(39): p. 12048-12056.

Xia, Z.Y., et al. (2013). Graphene: The Exfoliation of Graphene in Liquids by Electrochemical, Chemical, and Sonication‐Assisted Techniques: A Nanoscale Study (Adv. Funct. Mater. 37/2013). Advanced Functional Materials, 2013. 23(37): p. 4756-4756.

Xu, Z., X. Yang, and Z. Yang (2010). A molecular simulation probing of structure and interaction for supramolecular sodium dodecyl sulfate/single-wall carbon nanotube assemblies. Nano letters, 2010. 10(3): p. 985-991.

Yang, S., et al. (2015). Organic radical-assisted electrochemical exfoliation for the scalable production of high-quality graphene. Journal of the American Chemical Society, 2015. 137(43): p. 13927-13932.

Zhang, K., et al. (2018). Direct exfoliation of graphite into graphene in aqueous solution using a novel surfactant obtained from used engine oil. Journal of materials science, 2018. 53(4): p. 2484-2496.

Zheng, W., et al. (2011). Effect of cation symmetry on the morphology and physicochemical properties of imidazolium ionic liquids. The Journal of Physical Chemistry B, 2011. 115(20): p. 6572-6584.

Zu, S.-Z. and B.-H. Han (2009). Aqueous dispersion of graphene sheets stabilized by pluronic copolymers: formation of supramolecular hydrogel. The Journal of Physical Chemistry C, 2009. 113(31): p. 13651-13657.