Enhanced high-temperature thermoelectric performance by strain engineering in BiOCl
Semiconductor BiOCl has a layered structure with ultralow lattice thermal conductivity [QD
Gibson et al., Science 373, 1017–1022 (2021)] and has potential applications in the field of …
Gibson et al., Science 373, 1017–1022 (2021)] and has potential applications in the field of …
Machine learning accelerated design of 2D covalent organic frame materials for thermoelectrics
Both thermodynamic stability and high thermoelectric figure of merit are required for organic
thermoelectric materials for practical application. However, it is extremely time-consuming to …
thermoelectric materials for practical application. However, it is extremely time-consuming to …
Capacity development of Pd doped Si2BN nanotube for hydrogen storage
Using first principles calculations employing density functional theory (DFT) we have
investigated the electronic properties of Si 2 BN nanotubes having 10 Å and 15 Å (armchair …
investigated the electronic properties of Si 2 BN nanotubes having 10 Å and 15 Å (armchair …
Enhancement of thermoelectric performance in graphenylene nanoribbons by suppressing phonon thermal conductance: the role of phonon local resonance
Based on the method of non-equilibrium Green's function, we investigate the thermal
transport and thermoelectric properties of graphenylene nanoribbons (GRNRs) with different …
transport and thermoelectric properties of graphenylene nanoribbons (GRNRs) with different …
On the role of crystal defects on the lattice thermal conductivity of monolayer WSe2 (P63/mmc) thermoelectric materials by DFT calculation
As the energy problem becomes more prominent, research on thermoelectric (TE) materials
has deepened over the past few decades. Low thermal conductivity enables thermoelectric …
has deepened over the past few decades. Low thermal conductivity enables thermoelectric …
Investigation of boron nitro silicone band modulation using the tight-binding method
P Ahani, MT Ahmadi, AM Abazari… - ECS Journal of Solid …, 2022 - iopscience.iop.org
Abstract Boron Nitro silicon (Si 2 BN), as a 2D material, is used in a wide variety of
applications due to its outstanding electrical properties. The electrical parameters of Si 2 BN …
applications due to its outstanding electrical properties. The electrical parameters of Si 2 BN …
Unusual phase transition mechanism induced by shear strain in Si2BN planar structures and comparison with graphene: an ab-initio DFT study
Using ab initio methods we show that by applying shear strain, a phase transition occurs
between the AB and the AA Si2BN planar sheets. Si–Si bonds stretch and bend towards the …
between the AB and the AA Si2BN planar sheets. Si–Si bonds stretch and bend towards the …