Nature Communications · 2021 · 151 citations · 46 references
Natural SciencesMaterials EngineeringMaterials ScienceElectrochemistryInterface ScienceSurface ScienceCharge Carrier TransportElectrochemical CellsInterfacial ElectrochemistrySolid-liquid InterfacesSurface ChargeSurface PhysicsCharge Transfer At InterfacesCharge Transport AnalysisContact ElectrificationElectrode InterfacesElectrostatic Surface PotentialInterfacial Charge TransferNanogeneratorsTriboelectric Nanogenerators
The charge transfer phenomenon of contact electrification even exists in the liquid-solid interface by a tiny droplet on the solid surface. In this work, we have investigated the contact electrification mechanism at the liquid-solid interface from the electronic structures at the atomic level. The electronic structures display stronger modulations by the outmost shell charge transfer via surface electrostatic charge perturbation than the inter-bonding-orbital charge transfer at the liquid-solid interface, supporting more factors being involved in charge transfer via contact electrification. Meanwhile, we introduce the electrochemical cell model to quantify the charge transfer based on the pinning factor to linearly correlate the charge transfer and the electronic structures. The pinning factor exhibits a more direct visualization of the charge transfer at the liquid-solid interface. This work supplies critical guidance for describing, quantifying, and modulating the contact electrification induced charge transfer systems in triboelectric nanogenerators in future works.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17