Determination of the Interfacial Energy between Graphene Nanoplatelets and Deuterated or Hydrogenated Polystyrene

Lin, Yu-Chung; Liu, Xiaoyang; Onghai, Gavin; Raut, Aniket; Fang, Yiwei; Yin, Yifan; Fu, Shi; Fang, Haoyan; Feng, Kuan-Che; Wang, Xuelong; Liu, Ping; Li, Tai-De; Sokolov, Jonathan; Rafailovich, Miriam

doi:10.1021/acs.macromol.3c00982

Title: Determination of the Interfacial Energy between Graphene Nanoplatelets and Deuterated or Hydrogenated Polystyrene

Journal Article · Fri Sep 29 00:00:00 EDT 2023 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.3c00982· OSTI ID:2204146

^[1];

^[1]; Fang, Yiwei ^[1]; Yin, Yifan ^[1]; Fu, Shi ^[1]; Fang, Haoyan ^[1]; Feng, Kuan-Che ^[1]; Wang, Xuelong ^[2];

^[2]; Li, Tai-De ^[3]; Sokolov, Jonathan ^[1]; Rafailovich, Miriam ^[1]

Stony Brook University, NY (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States)
City University of New York, NY (United States)

The tracer diffusion coefficients of various graphene nanoplatelet-polystyrene (GNP-PS) systems were determined by using dynamic secondary ion mass spectrometry, which provided insights into the interactions within the polymer nanocomposite system. Bilayer films, where one contained trace amounts of deuterated polystyrene (dPS), were produced, and the interdiffusion was measured by detecting the position of the dPS interface. GNPs were placed in both or only one of the two layers. The diffusion coefficient was decreased when GNPs were present in both layers as compared to the samples without GNP, indicating an attractive interaction between GNP and polystyrene. Surprisingly, the coefficient increased relative to the control when GNPs were present only in the PS containing layer, whereas it decreased most strongly when GNP and dPS were present only in the same layer, indicating that an additional preference existed for GNPs and dPS. A significant difference in interfacial energies was measured using contact angle goniometry of PS or dPS droplets on flat GNP layers, confirming the preferential interaction. DFT calculations were used to calculate the interfacial interaction between GNP and dPS or PS, and they showed an attractive potential which was maximal when the PS rings were conformal with the GNP structure. Furthermore, the differential energy between PS and dPS at the GNP interface was in excellent agreement with the measured value. In contrast, contact angle goniometry indicated that the interaction between GNP and poly(methyl methacrylate) (PMMA) was unfavorable, and no difference in interfacial energy between dPMMA and PMMA was observed. Therefore, these techniques can provide a means for determining the relative affinity between GNP and different polymer hosts, which can be an important consideration in the mechanics and adhesion properties of the compounds.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); US Department of the Navy, Office of Naval Research (ONR)

Grant/Contract Number:: SC0012704; N00014-20-1-2858; AC02-05CH11231

OSTI ID:: 2204146

Report Number(s):: BNL-224933-2023-JAAM

Journal Information:: Macromolecules, Vol. 56, Issue 19; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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