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A Theoretical Study of the Role of Interfacial Water and Triboelectric Charging in Insulators

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In electrophotographic printing, the adsorption of water on critical surfaces has an overwhelming but poorly understood effect on the triboelectric charging. In this work, Molecular Mechanics was used to find the most probable water adsorption sites for isolated PMMA, poly(methyl methacrylate), and isolated silica models, and for intermolecular complexes between PMMA and silica which are responsible for triboelectric charge transfer. Density functional theory (DFT) was used calculate the local energy minima, the adsorption of water molecules on different surface functional groups, and the analysis of the frontier orbitals, to quantitatively compare the energy gap differences for electronic charge transfer, and thus the effect of hydration site on PMMA and silica on electronic charge transfer.

Four surface water adsorption modes that affect electron charge transfer between PMMA and silica were found: water adsorbed on the PMMA carbonyl, water adsorbed at the active site of the LUMO on silica, water as a spacer between PMMA and silica, and water as a charge carrier dissipating charge.

This work provides a detailed mechanistic understanding of the effect of water on the surface electronic structure of amorphous silica and PMMA that are critical to electrophotographic applications, and no doubt to other applications where the surface electronic structure is relevant.
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Document Type: Research Article

Publication date: 2013-01-01

More about this publication?
  • For more than 30 years, IS&T's series of digital printing conferences have been the leading forum for discussion of advances and new directions in 2D and 3D printing technologies. A comprehensive, industry-wide conference that brings together industry and academia, this meeting includes all aspects of the hardware, materials, software, images, and applications associated with digital printing systems?particularly those involved with additive manufacturing and fabrication?including bio-printing, printed electronics, page-wide, drop-on-demand, desktop and continuous ink jet, toner-based systems, and production digital printing, as well as the engineering capability, optimization, and science involved in these fields. In 2016, the conference changed its name formally to Printing for Fabrication to better reflect the content of the meeting and the evolving technology of printing.

    Please note: For purposes of its Digital Library content, IS&T defines Open Access as papers that will be downloadable in their entirety for free in perpetuity. Copyright restrictions on papers vary; see individual paper for details.

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