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Transversal structures (also known as regular edge labelings) are combinatorial structures defined over 4-connected plane triangulations with quadrangular outer-face. They have been intensively studied and used for many applications…
We investigate the impact of topology on the phase structure of four-dimensional Causal Dynamical Triangulations (CDT). Using numerical Monte Carlo simulations we study CDT with toroidal spatial topology. We confirm existence of all four…
The relaxation of twist in elastic filaments often drives conformational changes. We explore this paradigm using all-atom computations and report the formation of novel supercoiled shapes in individual carbon nanotubes (CNTs). Decreasing…
An artifcial two-atomic molecule, also called a double quantum dot (DQD), is an ideal system for exploring few electron physics. Spin-entanglement between just two electrons can be explored in such systems where singlet and triplet states…
Atomically thin one dimensional (1D) van der Waals wires of transition metal monochalocogenides (TMMs) have been anticipated as promising building blocks for integrated nanoelectronics. While reliable production of TMM nanowires has eluded…
We study the interference of interacting electrons in toroidal single-wall carbon nanotubes coupled to metallic electrodes by tunnel junctions. The dc conductance shows resonant features as a function of the gate voltage and the magnetic…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
To investigate cylindrical ultrathin copper nanowires, we performed atomistic simulations using the steepest descent method. The stable structures of the cylindrical ultrathin copper nanowires were multi-shell packs composed of coaxial…
Recent conductance measurements on multi-wall carbon nanotubes (CNTs) reveal an effective behavior similar to disordered single-wall CNTs. This is due to the fact that electric current flows essentially through the outermost shell and is…
Using density functional calculations, we investigate the structural and magnetic properties of ultrathin Gd and Gd-carbide nanowires (NWs) encapsulated in narrow carbon nanotubes (CNTs). The equilibrium geometry of an encapsulated (2…
The electronic structure of a graphene sheet is altered when it is rolled up to form a single-walled carbon nanotube (SWCNT), and the curvature effects for small radius nanotubes become significant. In the paper, an analogue of the Bloch…
Interface widely exists in carbon nanotube (CNT) assembly materials, taking place at different length scales. It determines severely the mechanical properties of these assembly materials. Here I assess the mechanical properties of…
This review summarizes progress on structural composites with carbon nanotube fibres. It starts by analyzing their development towards a macroscopic ensemble of elongated and aligned crystalline domains, alongside the evolution of the…
We characterize the response of isolated single- (SWNT) and multi-wall (MWNT) carbon nanotubes and bundles to static electric fields using first-principles calculations and density-functional theory. The longitudinal polarizability of SWNTs…
We introduce carbon Kagome nanotubes (CKNTs) -- a new allotrope of carbon formed by rolling up sheets of Kagome graphene, and investigate the properties of this material using first principles calculations. Based on the direction of…
Physisorption studies and transmission electron microscopy have been used to characterise multi-walled carbon nanotubes (MWNTs) made by a template-synthesis technique. Microscopic investigations revealed formation of 'branched nanotubes'…
The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…
There is an emerging recognition that successful utilization of chiral degrees of freedom can bring new scientific and technological opportunities to diverse research areas. Hence, methods are being sought for creating artificial matter…
The transport properties of quantum dot (QD) systems based on double-walled carbon nanotube (DWCNT) are investigated. The interplay between microscopic structure and strong Coulomb interaction is treated within a bosonization framework. The…
The ability to design and dynamically control chiroptical responses in solid-state matter at wafer scale enables new opportunities in various areas. Here we present a full stack of computer-aided designs and experimental implementations of…