Electron transport and quantum phase transitions in cumulene-connected C80H20 fulleryne: DFT and tight-binding studies

Phosphorene Junctions as a Platform for Spin-Selective Quantum Dots in Next-Generation Devices

Thermoelectric properties of MoS2-MoTe2 and MoS2-MoSe2lateral hetero-structures: The effects of external magnetic, transverse electric fields and nanoribbon width

Efficient Algorithm for Extracting Transmission Spectrum From Band Structure in Low-Dimensional Systems

Chiral silicene nanoribbons under transverse and vertical electric fields: Role of edge states

Structural, electronic and optical properties of anisotropic AlN/BP van der Waals heterostructures with high carrier mobility and remarkable optical absorption

Thermal rectification in novel two-dimensional hybrid graphene/BCN sheets: A molecular dynamics simulation

Band engineering of phosphorene/graphene van der Waals nanoribbons toward high-efficiency thermoelectric devices

Comparison of electron transport in Graphyne ring and benzene using tight-binding model and density functional theory

Flexible thermoelectrics in crossed graphene/hBN composites

Insights into electronic and transport properties of phosphorene nanorings in two perpendicular directions: Effects of circular and elliptical external potentials

Tuning Conducting Phases in C3N/C2N Heterostructures: Applications in Thermoelectrics

Tuning transport properties of deformed carbon nanocages by electric field, electrode material, and type of coupling

Electronic transport and thermoelectric properties of phosphorene nanodisk under an electric field

Tuning phononic and electronic contributions of thermoelectric in defected S‑shape graphene nanoribbons

The solvent-driven impurity migration over graphene in the presence of electric field

Fullerene, fullerane and the fulleryne: A comparative thermodynamic study for a new member of the carbon cage family

Heat transfer in polyethylene nanocomposites: A multiscale approach

Investigation of electron transport properties in fullerene and fullerane nanocages

Electronic and thermodynamic properties of zigzag MoS2/ MoSe2 and MoS2/ WSe2 hybrid nanoribbons: Impacts of electric and exchange fields

Theoretical study of structural and electronic properties of sila-dodecahedrane as an optical-chemical sensor by density functional theory method

Thermal transport in two-dimensional C 3 N/C 2 N superlattices: A molecular dynamics approach

Vacancy tuned thermoelectric properties and high spin fltering performance in graphene/silicene heterostructures

Optical Response of Sila-Fulleranes in Interaction With Glycoproteins for Environmental Monitoring

Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes

Predicting the new carbon nanocages, fullerynes: a DFT study

Effect of graphene and carbon-nitride nanofillers on the thermal transport properties of polymer nanocomposites: A combined molecular dynamics and finite element study

Pure thermal spin current and perfect spin‑fltering with negative diferential thermoelectric resistance induced by proximity efect in graphene/ silicene junctions

Highly tunable charge transport in defective graphene nanoribbons under external local forces and constraints: A hybrid computational study

Tunable electronic properties and electric-field-induced phase transition in phosphorene/graphene heterostructures

Heat transfer in strained twin graphene: A non-equilibrium molecular dynamics simulation

Tunable transport properties in graphene-DNA and silicene-DNA by controlling the thickness of nanopores

Phase transition and electronic tuning in gamma-graphynenanoribbons through uniaxial strain and electric field

Investigation of Graphene and Silicene-DNA nanostructures: DNA Sensing

Electromechanical and magnetic response in zigzag phosphorene nanoribbons

Electronic, dielectric, and optical properties of two-dimensional and bulk ice: A multiscale simulation study

Thermal rectification and interfacial thermal resistance in hybrid pillared-graphene and graphene a molecular dynamics and continuum approach

Electronic structure of the PrNiBi half-Heusler system based on the σGGA+U method

Electronic transport properties in the stable phase of a cumulene/B7/cumulene molecular bridge investigated using density functional theory and a tight-binding method

Thermal conductivity and thermal rectification of nanoporous graphene: A molecular dynamics simulation

Topological and transport properties of graphene-based nanojunctions subjected to a magnetic field

Tunable spin transport and quantum phase transitions in silicene materials and superlattices

Mechanical properties of twin graphene subjected to uniaxial stress by molecular dynamic simulation

Effects of electric and magnetic fields on electronic properties of stanene nanoribbons

Investigation of electrical properties in AB-Stacked bilayer Graphene-DNA nanostructures

Thermal transport across grain boundaries in polycrystalline silicene: A multiscale modeling

Impact of topological line defects on wall roughness and thermal conductivity of carbon nanotubes: A molecular dynamics study

Vesicle-like structure of lipid-based nanoparticles as drug delivery system revealed by molecular dynamics simulations

Thermal transport in silicene nanotubes: Effects of length, grain boundary and strain

Optical transitions and localized edge states in skewed zigzag phosphorene nanoribbons

Enhanced nonlinear optical susceptibilities in phosphorene nanoribbons: Ab initio study

Highly tunable charge and spin transport in silicene junctions: phase transitions and half-metallic states

Spin transport in a superlattice silicene nanoribbon

Peculiar half-metallic state in zigzag nanoribbons of MoS2: Spin filtering

The impact of polymer coatings on magnetite nanoparticles performance as MRI contrast agents: a comparative study

Combined effect of oriented strain and external magnetic field on electrical properties of superlattice-graphene nanoribbons

Simultaneous diagnosis and drug delivery by silymarin-loaded magnetic nanoparticles

Effect of uniaxial strain on electrical conductance and band gap of superlattice-graphene nanoribbons

Analytical study of electronic quantum transport in carbon-based nanomaterials

Theoretical study of electronic conductance in a quantum system with two chain model leads

Electron localization in superlattice-carbon nanotubes

Electronic transport through superlattice-graphene nanoribbons

Electronic quantum transport through inhomogeneous quantum wires

Electronic transport through superlattice-like disordered carbon nanotubes

The study of the voltage effects on the direct synthesis of the silver nanoparticles decorated defective copper oxide nanoparticles

Influence of perpendicular electric field on electronic and optical properties of Armchair borophene nanoribbons

Investigation of thermal transport in twin graphene nanostructure by molecular dynamics simulation

Influence of perpendicular electric field on electronic and optical properties of Zigzag bilayer silicene nanoribbons

Asymmetric electronic transport in a quantum dot under a magnetic field

Influence of electric field on heat capacity, magnetic susceptibility and density of states of zigzag nanoribbon's MoSe2

Semiconductor-metal phase transition in graphene nanoribbons with periodic rough edges

Investigation of the effect of geometrical structure and quantum confinement on the electronic properties of sila-fulleranes

Silicon device as an optical detector of cancer cells

Charge Transport in Borophene Nanoribbons

Effect of Vacancy Defect on Electronic Properties of Superlattice Phosphorene Nanoribbons

Investigation of electronic and Magnetic Properties of MnAs Nanoplate along the [111] Based on densit functional theory

Tunable Thermal Rectification in Silicon Nanowires: A Molecular Dynamics Study

-

Investigation of the electronic properties of single layers of molybdenum sulfide atomic defects using density functional theory

Transport in Graphene Spin Transistors

Transport in a magnetic quantum ring with binary alloy: A nano spin filter

Spin-dependent conductance in graphene nanostructures in the presence of spin-orbit couplings

Switching properties of graphene nanorings

Spin dependent transport in a magnetic quantum ring with a binary alloy

Electronic transport in concentric double nanorings

-----

Magnetic nanoparticles as contrast agent in MRI : A comparison study on impact of polymer coating on improvement of the relaxation time

Electronic transport through a graphene disk with edge defects