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The practical realization of nano-scale electronics faces two major challenges: the precise engineering of the building blocks and their assembly into functional circuits. In spite of the exceptional electronic properties of carbon…
We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consider both semiconducting TMDs and metallic TMDs, and different…
We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime,…
The semiconductiong ${\alpha'}$-borophene nanoribbon (${\alpha'}$-BNR) due to its incredible properties such as high stability and great mobility of carriers demostrates high-efficiency in thermoelectric devices. These properties enable us…
Photoconductivity of novel materials is the key property of interest for design of photodetectors, optical modulators, and switches. Despite the photoconductivity of most novel 2d materials has been studied both theoretically and…
A first-principles approach is presented for the thermoelectricity in molecular junctions formed by a single molecule contact. The study investigates the Seebeck coefficient considering the source-drain electrodes with distinct temperatures…
Thermoelectric effects in magnetic nanostructures and the so-called spin caloritronics are attracting much interest. Indeed it provides a new way to control and manipulate spin currents which are key elements of spin-based electronics. Here…
Magic-angle twisted bilayer graphene (MtBLG) has proven to be an extremely promising new platform to realize and study a host of emergent quantum phases arising from the strong correlations in its narrow bandwidth flat band. In this regard,…
The enhancement of thermoelectric figure of merit ZT requires to either increase the power factor or reduce the phonon conductance, or even both. In graphene, the high phonon thermal conductivity is the main factor limiting the…
Atomically precise graphene nanoribbons are a promising emerging class of designer quantum materials with electronic properties that are tunable by chemical design. However, many challenges remain in the device integration of these…
Heat flow in nanomaterials is an important area of study, with both fundamental and technological implications. However, little is known about heat flow in two-dimensional (2D) devices or interconnects with dimensions comparable to the…
We explore the thermoelectric properties of gold atomic chains bridging gold electrodes by means of \textit{ab initio} and semi-empirical calculations, and heuristic reasoning. We predict the thermoelectric voltage induced by a temperature…
We report measurements of the thermopower $S$ and Nernst signal $S_{yx}$ in graphene in a magnetic field $H$. Both quantities show strong quantum oscillations vs. the gate voltage $V_g$. Our measurements for Landau Levels of index $n\ne 0$…
In graphene nanoribbons (GNRs), the lateral confinement of charge carriers opens a band gap, the key feature to enable novel graphene-based electronics. Successful synthesis of GNRs has triggered efforts to realize field-effect transistors…
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…
We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…
The electronic and transport properties of graphene modulated by magnetic barrier arrays are derived for finite temperature. Prominent conductance gaps, originating from quantum interference effects are found in the periodic array case.…
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
We design a superconducting thermoelectric bolometer made of a Graphene-Insulator-Superconductor tunnel junction. Our detector has the advantage of being passive, as it directly transduces input power to a voltage without the need to…
The Seebeck coefficient is an important quantity in determining the thermoelectric efficiency of a material. Phosphorene is a two-dimensional material with a puckered structure, which makes its properties anisotropic. In this work, a…