Published in Nanotechnology
On-surface self-assemblies of aromatic organic molecules have been widely investigated, but the characterization of analogous self-assemblies consisting of fully sp3-hybridized molecules remains challenging. The possible on-surface orientations of alkyl molecules not exclusively comprised of long alkyl chains are difficult to distinguish because of...
Published in Environmental science & technology
The interaction of hydrophobic silicon dioxide particles (fumed silicon dioxide), as model air pollutants, and Langmuir monolayers of a porcine lung surfactant extract has been studied in order to try to shed light on the physicochemical bases underlying the potential adverse effects associated with pollutant inhalation. The surface pressure-area i...
Published in ECS Journal of Solid State Science and Technology
In this perspective, we discuss complex charge transport behaviours induced by redox-reactions in molecular tunnelling junctions by gauging the development of charge transport theories which allow for more unified approaches between temperature-dependent and -independent transport. A context is drawn for current experimental works which previously ...
Published in Journal of Physics D: Applied Physics
An intrinsic out-of-plane electronic field can inhibit the recombination of photogenerated carriers in two-dimensional (2D) polar materials. On the other hand, a direct Z-scheme constructed from a 2D van der Waals heterostructure can not only effectively separate photogenerated carriers, but also can retain robust redox abilities. g-C6N6/InP, a dir...
Published in Journal of Physics: Condensed Matter
Published in Journal of Physics: Condensed Matter
With the help of the Slater–Koster parametrization, we construct simplified force constant (FC) models to describe the phonons of several two-dimensional (2D) transition metal dichalcogenides (TMDs) (MoX2, X = S, Se or Te) by only considering the FCs to fourth-nearest-neighbor interactions. By fitting the phonon dispersions derived from first-princ...
Published in Journal of Physics: Condensed Matter
Valleytronic as a hot topic in recent years focuses on electrons’ valley degree of freedom as a quantum information carrier. Here, by combining two-band k.p model with high-throughput density functional theory (DFT) calculations, the valley states of Janus 2H-VSSe monolayer are studied which have spontaneous polarization. Nonvolatile valley polariz...
Published in Journal of Physics D: Applied Physics
Building novel van der Waals (vdW) heterostructures is a feasible method to expand material properties and applications. A MoSi2N4/blue phosphorus (BlueP) heterostructure is designed and investigated as a potential photocatalytic candidate by first-principle calculations. Based on the band alignment and electron transfer, MoSi2N4/BlueP exhibits the...
Published in Angewandte Chemie (International ed. in English)
Lamellar phases of alkyldiacetylenes in which the alkyl chains lie parallel to the substrate represent a straightforward means for scalable 1-nm-resolution interfacial patterning. This capability has the potential for substantial impacts in nanoscale electronics, energy conversion, and biomaterials design. Polymerization is required to set the 1-nm...
Published in Journal of the Royal Society, Interface
The lung surfactant monolayer (LSM) forms the main biological barrier for any inhaled particles to enter our bloodstream, including gold nanoparticles (AuNPs) present as air pollutants and under investigation for use in biomedical applications. Understanding the interaction of AuNPs with lung surfactant can assist in understanding how AuNPs enter o...
