相关论文: Strong Thermal Transport Anisotropy and Strain Mod…
The thermal properties of anisotropic crystals are of both fundamental and practical interest, but transport phenomena in anisotropic materials such as graphite remain poorly understood because solutions of the Boltzmann equation often…
In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while…
Many materials have anisotropic thermal conductivity, with diverse applications such as transistors, thermoelectrics, and laser gain media. Yet measuring the thermal conductivity tensor of such materials remains a challenge, particularly…
Individual carbon nanotubes (CNTs) possess extremely high thermal conductivities. However, the thermal conductivities and their anisotropy of macroscopic assemblies of CNTs have so far remained small. Here, we report results of directional…
A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transport properties of the oxidized form of phosphorene called…
We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…
We present an ab-initio investigation of effects of shear strain on band structure and electronic properties of 2D phosphorene. We carried out DFT calculations to determine the shear stress as a function of shear strain and found the…
Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…
Graphene has emerged as a paradigmatic material in condensed matter physics due to its exceptional electronic, mechanical, and thermal properties. A deep understanding of its thermoelectric transport behavior is crucial for the development…
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the system length is investigated, using Green's function…
We investigated thermal conductivity of free-standing reduced graphene oxide films subjected to a high-temperature treatment of up to 1000 C. It was found that the high-temperature annealing dramatically increased the in-plane thermal…
Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…
The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…
Crystalline defects are generally regarded as static phonon scatterers that irreversibly suppress thermal transport. Here we show that elastic strain can dynamically and reversibly reorganize dislocation ensembles and strongly modify heat…
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…
The present work discusses a non-synthetic strategy to achieve a favorable thermoelectric response in pentacene via strain. It is found that a uni-axial strain is capable of inducing spatial anisotropy in the molecule. As a result, the…
A uniaxial strain applied to graphene-like materials moves the Dirac nodes along the boundary of the Brillouin zone. An extreme case is the merging of the Dirac node positions to a single degenerate spectral node which gives rise to a new…
Materials and systems that exhibit persistent spin texture provide a platform for creating robust spin states that can be used in quantum computing, memory storage, and other advanced technological applications. In this paper we show that…
Phosphorene is a single elemental two-dimensional semiconductor that has quickly emerged as a high mobility material for transistors and optoelectronic devices. In addition, being a 2D material, it can sustain high levels of strain,…
The anisotropic thermoelectric transport properties of bulk silicon strained in [111]-direction were studied by detailed first-principles calculations focussing on a possible enhancement of the power factor. Electron as well as hole doping…