Linking the chemistry and physics of electronic charge transfer in insulators: theory and experiment

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Proceedings titleNIP28 : 28th international conference on digital printing technologies : technical program and proceedings : Digital fabrication 2012
Conference28th International Conference on Digital Printing Technologies, NIP 2012 and Digital Fabrication 2012, September 9-13, 2012, Quebec, QC, Canada
Pages360363; # of pages: 4
SubjectElectronic charges; Electrophotography; Highest occupied molecular orbital; Inverse gas chromatography; Lowest unoccupied molecular orbital; Precursor complexes; Quantum-mechanical modeling; Triboelectric charging; Alumina; Chemical potential; Density functional theory; Gas chromatography; Molecular orbitals; Photography; Quantum theory; Silica; Surface chemistry; Surface states; Charge transfer
AbstractThe surface states model is successful in predicting many salient features of charge transfer in insulative materials, which is critical to electrophotography. This paper will discuss how the surface chemistry controls the physics, the chemical potentials, and how it fits the surface states model. The interrelationship of acid-base Ka/Kb values of the materials in contact, measured by IGC (inverse gas chromatography), the HOMO (highest occupied molecular orbitals) and LUMO (lowest unoccupied molecular orbitals) and their excited states calculated using DFT (density functional theory) quantum mechanical modeling, the chemical potentials measured by the Kelvin method, and triboelectric charging data are studied. It will be shown that a precursor complex of the contacting materials, prior to the charge transfer event, can be calculated by DFT to predict both qualitatively and quantitatively triboelectric charging. The work focuses on PTFE, Kynar and PMMA polymers, as well as silica, titania and alumina.
Publication date
AffiliationNational Research Council Canada (NRC-CNRC); Security and Disruptive Technologies
Peer reviewedYes
NPARC number21270224
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Record identifierb7e5fe34-a2a8-4473-917d-13f39f04b35f
Record created2014-01-14
Record modified2016-05-09
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