Thin Layer of Cyclodextrins on Graphene—MD Simulations
261
Fig. 8 The Lindemann index for β-cyclodextrins on graphene surface
graphene layer. The physisorption of β-cyclodextrin molecules to any carbon absorption sites on graphene was not observed. The dynamics of βCD molecules in the
studied system is essentially their two-dimensional (2D) translation all over graphene
layer. The displacements of β-cyclodextrins directed perpendicular to graphene sheet
is strongly limited. The stable 2D liquid phase of β-cyclodextrins exists on graphene
sheet. These observations documented above set a ground for future use of βCD in the
context of searching for new applications of decorated graphene in nanotechnology.
Acknowledgements We would like to thank the PL Grid supercomputers network for sharing
computational resources.
References
1. Lawal AT (2019) Graphene-based nano composites and their applications. A review. Biosens
Bioelectron 141(1–17): 111384. https://doi.org/10.1016/j.bios.2019.111384
2. Nandanapalli KR, Mudusu D, Lee S (2019) Functionalization of graphene layers and advancements in device applications. Carbon 152:954–985. https://doi.org/10.1016/j.carbon.2019.
06.081
3. Bahiraei M, Heshmatian S (2019) Graphene family nanofluids: a critical review and future
research directions. Energy Convers Manag 196:1222–1256. https://doi.org/10.1016/j.enc
onman.2019.06.076
4. Wang J, Mu X, Sun M, Mu T (2019) Optoelectronic properties and applications of graphenebased hybrid nanomaterials and van der Waals heterostructures. Appl Mater Today 16:1–20.
https://doi.org/10.1016/j.apmt.2019.03.006
5. Iqbal MZ, Rehman AU, Siddique S (2019) Prospects and challenges of graphene based fuel
cells. J Energy Chem 39:217–234. https://doi.org/10.1016/j.jechem.2019.02.009
6. Sun C, Liu M, Bai B (2019) Molecular simulations on graphene-based membranes. Carbon
153:481–494. https://doi.org/10.1016/j.carbon.2019.07.052
261
Fig. 8 The Lindemann index for β-cyclodextrins on graphene surface
graphene layer. The physisorption of β-cyclodextrin molecules to any carbon absorption sites on graphene was not observed. The dynamics of βCD molecules in the
studied system is essentially their two-dimensional (2D) translation all over graphene
layer. The displacements of β-cyclodextrins directed perpendicular to graphene sheet
is strongly limited. The stable 2D liquid phase of β-cyclodextrins exists on graphene
sheet. These observations documented above set a ground for future use of βCD in the
context of searching for new applications of decorated graphene in nanotechnology.
Acknowledgements We would like to thank the PL Grid supercomputers network for sharing
computational resources.
References
1. Lawal AT (2019) Graphene-based nano composites and their applications. A review. Biosens
Bioelectron 141(1–17): 111384. https://doi.org/10.1016/j.bios.2019.111384
2. Nandanapalli KR, Mudusu D, Lee S (2019) Functionalization of graphene layers and advancements in device applications. Carbon 152:954–985. https://doi.org/10.1016/j.carbon.2019.
06.081
3. Bahiraei M, Heshmatian S (2019) Graphene family nanofluids: a critical review and future
research directions. Energy Convers Manag 196:1222–1256. https://doi.org/10.1016/j.enc
onman.2019.06.076
4. Wang J, Mu X, Sun M, Mu T (2019) Optoelectronic properties and applications of graphenebased hybrid nanomaterials and van der Waals heterostructures. Appl Mater Today 16:1–20.
https://doi.org/10.1016/j.apmt.2019.03.006
5. Iqbal MZ, Rehman AU, Siddique S (2019) Prospects and challenges of graphene based fuel
cells. J Energy Chem 39:217–234. https://doi.org/10.1016/j.jechem.2019.02.009
6. Sun C, Liu M, Bai B (2019) Molecular simulations on graphene-based membranes. Carbon
153:481–494. https://doi.org/10.1016/j.carbon.2019.07.052