Effect of Atomic Mass Contrast on Lattice Thermal Conductivity: A Case Study for Alkali Halides and Alkaline-Earth Chalcogenides
SC Rakesh Roshan, N Yedukondalu… - ACS Applied …, 2023 - ACS Publications
Lattice thermal conductivity (κL) is of great scientific interest for the development of efficient
energy conversion technologies. Therefore, microscopic understanding of phonon transport …
energy conversion technologies. Therefore, microscopic understanding of phonon transport …
[HTML][HTML] First-principles calculations to investigate electronic band structure, optical and mechanical properties of new CaFCl monolayer
M Barhoumi - Results in Physics, 2023 - Elsevier
Two-dimensional materials present new opportunities to venture into largely unexplored
areas of material property space. They are appropriate for several electronic powers …
areas of material property space. They are appropriate for several electronic powers …
Effect of Hydrostatic Pressure on Lone Pair Activity and Phonon Transport in Bi2O2S
N Yedukondalu, T Pandey… - ACS Applied Energy …, 2023 - ACS Publications
Dibismuth dioxychalcogenides, Bi2O2Ch (Ch= S, Se, Te), are a promising class of materials
for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and …
for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and …
A multifunctional Mg 2 Si monolayer with negative Poisson's ratio and ultrahigh thermoelectric performance at room temperature
Flexible thermoelectric materials exhibit robust fracture resistance, rendering them highly
promising for applications in wearable thermoelectric devices. Here, we design an …
promising for applications in wearable thermoelectric devices. Here, we design an …
Electronic band structures and spin-charge densities of edge-functionalized silicene nanoribbons as promising candidates for either optoelectronics or spintronics …
Two-dimensional nanomaterials including graphene as well as its nanoribbons have started
to occur, which has accelerated the growth of contemporary nanotechnology. Silicene, a …
to occur, which has accelerated the growth of contemporary nanotechnology. Silicene, a …
Highly Anisotropic to Isotropic Nature and Ultralow Out-of-Plane Lattice Thermal Conductivity of Layered PbClF-Type Materials
SC Rakesh Roshan, N Yedukondalu… - Inorganic …, 2024 - ACS Publications
Materials with an extreme lattice thermal conductivity (κl) are indispensable for thermal
energy management applications. Layered materials provide an avenue for designing such …
energy management applications. Layered materials provide an avenue for designing such …
Assessing Lattice Thermal Conductivity of Topological Insulator Bi2Se3 by Raman Thermometry
V Kurian Elavunkel, SK Das… - physica status solidi (a …, 2024 - Wiley Online Library
Lattice thermal conductivity (κL) of the hexagon‐shaped nanocrystals cluster of Bi2Se3,
prepared by the hot‐injection technique using nontoxic solvents, is studied. From the …
prepared by the hot‐injection technique using nontoxic solvents, is studied. From the …
Ternary transition-metal nitride halide monolayers MNI (M= Zr, Hf) with low thermal conductivity and high thermoelectric figure of merit
Abstract Machine learning-based approaches are promising in pursuing the thermal
properties of two-dimensional materials. Here, a comprehensive study of thermal transport …
properties of two-dimensional materials. Here, a comprehensive study of thermal transport …
Novel arsenborane as a sensing material for dichlorofluoromethane and dichlorodifluoromethane vapours–A first-principles study
V Nagarajan, R Bhuvaneswari… - Materials Today …, 2024 - Elsevier
Abstract Presently, two-dimensional (2D) materials are cutting-edge research to detect air
pollutants in the environment. In this research study, we used arsenborane as a sensing …
pollutants in the environment. In this research study, we used arsenborane as a sensing …
Third-order elastic constants of germanium and silicon using adiabatic-connection fluctuation-dissipation theorem in random phase approximation
M Barhoumi - Silicon, 2023 - Springer
Elastic properties are parameters that outline the mechanical behavior of an elastic material.
According to the proportional connection between atomic bond strength and elasticity …
According to the proportional connection between atomic bond strength and elasticity …