Ultralow lattice thermal conductivity and thermoelectric performance of twisted graphene/boron nitride heterostructure through strain engineering
We designed and investigated the electronic, mechanical, and thermoelectric properties of
Graphene/hexagonal Boron Nitride (Gr/h-BN) heterostructure at various twisting angles …
Graphene/hexagonal Boron Nitride (Gr/h-BN) heterostructure at various twisting angles …
Theoretical investigation of the physical properties of cubic perovskite oxides SrXO3 (X= Sc, Ge, Si)
Various physical properties (electronic, optical and thermoelectric) of cubic perovskite
oxides Sr XO 3 (X= Sc, Ge, Si) are investigated by using the density functional theory (DFT) …
oxides Sr XO 3 (X= Sc, Ge, Si) are investigated by using the density functional theory (DFT) …
[HTML][HTML] Copper-based diamond-like thermoelectric compounds: looking back and step** forward
W Wang, L Bo, J Zhu, D Zhao - Materials, 2023 - mdpi.com
The research on thermoelectric (TE) materials has a long history. Holding the advantages of
high elemental abundance, lead-free and easily tunable transport properties, copper-based …
high elemental abundance, lead-free and easily tunable transport properties, copper-based …
Optoelectronic and thermoelectric properties of double halide perovskite Cs2AgBiI6 for renewable energy devices
Density function theory-based calculations investigate the structural, electronic, optical, and
thermoelectric properties of bismuth-based double halide perovskite Cs 2 AgBiI 6 for …
thermoelectric properties of bismuth-based double halide perovskite Cs 2 AgBiI 6 for …
[HTML][HTML] Unveiling the Photocatalytic Potential of BiAgOS Solid Solution for Hydrogen Evolution Reaction
The growing emphasis on green energy has spurred momentum in research and
development within the field of photocatalytic materials, particularly for green hydrogen …
development within the field of photocatalytic materials, particularly for green hydrogen …
Enhancing Solar Cell Efficiency: A Comparative Study of Lead-Free Double Halide Perovskites and using DFT and SLME Methods
Recent advancements and developments in photovoltaic materials have made significant
progress owing to the search for efficient and sustainable energy sources. Although lead …
progress owing to the search for efficient and sustainable energy sources. Although lead …
Investigations on the thermoelectric and thermodynamic properties of quaternary coinage metal HgSBr
We present the findings of a thorough first-principles analysis of physical parameters related
to the ground state, elastic, electronic, optical, thermodynamic, and transport properties of …
to the ground state, elastic, electronic, optical, thermodynamic, and transport properties of …
Computational insights into transition metal-based BaCoX3 (X = Cl, Br, I) halide perovskites for spintronics, photovoltaics, and renewable energy devices
Ab-initio simulations using density functional theory (DFT) were employed to investigate the
structural, mechanical, electronic, magnetic, optical, and thermoelectric properties of halide …
structural, mechanical, electronic, magnetic, optical, and thermoelectric properties of halide …
Study of structural, electric, and electrochemical properties and storage mechanism of Na doped LiFePO4 cathode materials
Density functional theory (DFT) has been used to investigate the structural, electrochemical
and electronic effects of the N a-doped L i site of the L i F e PO 4 cathode material. N ax L i …
and electronic effects of the N a-doped L i site of the L i F e PO 4 cathode material. N ax L i …
Phase stability, electronic, mechanical, lattice distortion, and thermal properties of complex refractory-based high entropy alloys TiVCrZrNbMoHfTaW with varying …
This study examines the intricate area of refractory-based high entropy alloys (RHEAs),
focusing on a series of complex compositions involving nine diverse refractory elements: Ti …
focusing on a series of complex compositions involving nine diverse refractory elements: Ti …