In touch: the outcome of contact electrification between dielectrics depends not only on the transfer of charge but also on the transfer of material. Although only minute quantities of materials are being exchanged during contact, they can reverse the polarity of dielectrics. The reported results corroborate the mosaic model and suggest that the observations are because of the mechanical softness/hardness of the materials.
The pursuit to achieve miniaturization has tantalized researchers across the fields of chemistry, physics, biology, materials science and engineering for over half a century because of its many alluring potential applications. As alternatives to traditional "top-down" manufacturing, "bottom-up" approaches, originating from the (supra)molecular level, have enabled researchers to develop switches which can be manipulated on surfaces at nanoscale dimensions with deft precision using simple external triggers. Once on surfaces, these organic switches have been shown to modulate both the physical and chemical surface properties. In this Progress Report, we shed light on recent advances made in our laboratories towards integrated systems using all-organic switches on a variety of substrates. Design concepts are revealed, as well as the overall impact of all-organic switches on the properties of their substrates, while emphasizing the considerable promise and formidable challenges these advanced composite materials pose when it comes to conferring function on them.
Following previous experimental work examining a layered oxyfluoride as cathode material for Mg-ion batteries [Incorvati et al., Chem. Mater. 2016, 28, 17], we study the role of fluorination on the structural and electronic properties of molybdenum trioxide and its impact on Mg intercalation and diffusion using firstprinciples methods. Although bulk α-MoO 3 is a 2D layered compound, we find that it provides 3D channels for Mg diffusion. When F atoms are incorporated into the α-MoO 3 lattice, they replace the O atoms sitting at a specific crystallographic site that is linked by two nearest Mo atoms within a single Mo−O layer. As a consequence of F substitution, the local Mo-anion bonds are distorted, which leads to closure of the electronic band gap. From the analysis of zone center phonon vibrational frequencies, it is found that the local Mo-anion bonding strength is weakened by replacing O 2− with F − , which ultimately facilitates Mg diffusion through the F-substituted lattice. For example, it is shown that upon fluorination the activation barriers for Mg diffusion along selected pathways can be lowered by as much as 0.6 eV, estimated from our nudged elastic band simulations at 0K. Our results imply that direct anion doping can be a viable approach toward improving ion diffusivity in Mg-ion battery cathodes.
In touch: The outcome of contact electrification between dielectrics depends not only on the transfer of charge but also on the transfer of material (see picture). Although only minute quantities of materials are being exchanged during contact, they can reverse the polarity of dielectrics. The reported results corroborate the mosaic model and suggest that the observations are because of the mechanical softness/hardness of the materials.
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