Related papers: DECaNT: Simulation Tool for Diffusion of Excitons …
We calculate the exciton binding energy in single-walled carbon nanotubes with narrow band gaps, accounting for the quasi-relativistic dispersion of electrons and holes. Exact analytical solutions of the quantum relativistic two-body…
Excitons are spin integer particles that are predicted to condense into a coherent quantum state at sufficiently low temperature, and exciton condensates can be realized at much higher temperature than condensates of atoms because of strong…
Electroabsorption spectroscopy of well-identified index-defined semiconducting carbon nanotubes is reported. The measurement of high definition electroabsorption spectra allows direct indexation with unique nanotube chirality. Results show…
Noncentrosymmetric nature of single-layer transition metal dichalcogenides manifest itself in the finite piezoelectricity and valley-Zeeman coupling. We microscopically model nonlinear exciton transport in nano-bubble of single-layers of…
Narrow carbon nanotubes (CNTs) desalinate water, mimicking water channels of biological membranes, yet the physics behind selectivity, especially, the effect of the membrane embedding CNTs on water and ion transfer, is still unclear. Here,…
Two-dimensional halide perovskite nanoplatelets (NPLs) have exceptional light-emitting properties, including wide spectral tunability, ultrafast radiative decays, high quantum yields (QY), and oriented emission. To realize efficient…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…
Exciton condensation, the Bose-Einstein-like condensation of quasibosonic particle-hole pairs, has been the subject of much theoretical and experimental interest and holds promise for ultra-energy-efficient technologies. Recent advances in…
We study theoretically the in-plane electromagnetic response and the exciton-plasmon interactions for an experimentally feasible carbon nanotube (CN) film systems composed of parallel aligned periodic semiconducting CN arrays embedded in an…
Interwall interaction energies of double-walled nanotubes (DWNTs) with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected…
Simulations of exciton and charge hopping in amorphous organic materials involve numerous physical parameters. Each of these parameters must be computed from costly ab initio calculations before the simulation can commence, resulting in a…
As a platform for optoelectronic devices based on exciton dynamics, monolayer transition metal dichalcogenides (TMDCs) are often placed near metal interfaces or inside planar cavities. While the radiative properties of point dipoles at…
Locating and manipulating nano-sized objects to drive motion is a time and effort consuming task. Recent advances show that it is possible to generate motion without direct intervention, by embedding the source of motion in the system…
Various unique physical, chemical, mechanical and electronic properties of carbon nanotube (CNT) make it very useful materials for diverse potential application in many fields. Experimentally synthesized CNTs are generally found in bundle…
An oxidation process is simulated for a bundle of metal tubes in a cross-flow. A fluid flow is governed by the incompressible Navier-Stokes equations. To describe the transport of oxygen, the corresponding convection-diffusion equation is…
In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes…
Molecular dynamics (MD) simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) force fields were conducted to determine the transversely isotropic elastic properties of carbon nanotubes (CNTs) containing vacancies.…
Using single-nanotube absorption microscopy, we measured the absorption cross section of (6,5) carbon nanotubes at their second-order optical transition. We obtained a value of 3.2 10-17 cm2/C atom with a precision of 15% and an accuracy…
Carbon Nanotubes have shown to be an attractive option in the race to find a replacement to silicon-based transistors, due to its high electrical conductivity, extraordinary mechanical strength, and thermal conductivity. However, challenges…
In this thesis, I explored the use of several machine learning techniques, including neural networks, simulation-based inference, and generative flow networks, on predicting CNTFETs performance, probing the conductivity properties of CNT…