Related papers: Collective Electrostatics and Band Alignment in Ja…
The increasing technological control of two-dimensional materials has allowed the demonstration of 2D lateral junctions, which display unique properties that might serve as the basis for a new generation of 2D electronic and optoelectronic…
One-dimensional inorganic nanotubes hold promise for technological applications due to their distinct physical/chemical properties, but so far advancements have been hampered by difficulties in producing single-wall nanotubes with a…
The study of the G-mode pressure coefficients of carbon nanotubes, reflecting the stiff sp2 bond pressure dependence, is essential to the understanding of their extraordinary mechanical properties as well as fundamental mechanics. However,…
We compute electrostatic fields induced deformations of cantilevered finite-length metallic carbon nanotubes, using an energy minimization method based on a charge-dipole moment interaction potential combined with an empirical many-body…
We report conductance measurements on multiwall carbon nanotubes in a perpendicular magnetic field. A gate electrode with large capacitance is used to considerably vary the nanotube Fermi level. This enables us to search for signatures of…
The massive-band effects on screening behavior of metallic carbon nanotubes are theoretically investigated using two different methods; continuous and lattice quantum theories. Both approaches show screening of a localized external…
We develop and solve a continuum theory for the piezoelectric response of one dimensional nanotubes and nanowires, and apply the theory to study electromechanical effects in BN nanotubes. We find that the polarization of a nanotube depends…
We report on the field-effect modulation of the charge-density-wave quantum condensate in the top-gated heterostructure devices implemented with quasi-one-dimensional NbS$_3$ nanowire channels and quasi-two-dimensional h-BN gate dielectric…
Two-dimensional (2D) heterostructures reveal novel physicochemical phenomena at different length scales, that are highly desirable for technological applications. We present a comprehensive density functional theory study of van der Waals…
Electrostatic screening between carbon nanotubes (CNTs) in a small CNT bundle leads to a switching behavior induced by electric field perpendicular to the bundle axis. Using a first-principles method, we investigate the electronic…
Electrokinetically-driven Janus colloids, e.g., with one metallic and one dielectric hemisphere, confined between parallel walls exhibit a boundary-accumulation mechanism enabled by an effective cross-channel diffusivity which is distinct…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
Janus MoSSe monolayers were recently synthesised by replacing S by Se on one side of MoS$_2$ (or vice versa for MoSe$_2$). Due to the different electronegativity of S and Se these structures carry a finite out-of-plane dipole moment. As we…
Two-dimensional materials with Janus structure host novel physical properties due to their inversional symmetry breaking. However, it remains elusive to synthesize Janus monolayer crystals with tailored long-range magnetic orders. Here, we…
We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R^3, where R is the SWNT radius or…
The structure and transport of electrolytes in nanoscale channels are known to be affected by the electronic properties of the confining walls. This influence is particularly pronounced in quasi-one-dimensional nanotubes, where the high…
The discrete and charge-separated nature of matter - electrons and nuclei - results in local electrostatic fields that are ubiquitous in nanoscale structures and are determined by their shape, material, and environment. Such fields are…
Substrate and nanotube polarization are shown to change qualitatively a nanotube bandstructure. The effect is studied in a linear approximation in an external potential which causes the changes. A work function difference between the…
Transition metal dichalcogenides and their derivatives offer a versatile platform for exploring novel structural and functional properties in low-dimensional materials. In particular, Janus monolayers possess an intrinsic out-of-plane…
We study the electromechanical response of Janus transition metal dichalcogenide (TMD) nanotubes from first principles. In particular, considering both armchair and zigzag variants of twenty-seven select Janus TMD nanotubes, we determine…