Browsing School of Material Science and Technology by Subject "Density functional theory"

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Experimental and computational approaches to study the high temperature thermoelectric properties of novel topological semimetal CoSi

Sk, Shamim; Shahi, Nisha; Pandey, Sudhir K (IOP Publishing Ltd, 2022-07)

Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range 300-800 K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc ...
Morphological dependent exciton dynamics and thermal transport in MoSe2 films

Gupta, Jay Deep; Jangra, Priyanka; Majee, Bishnu Pada; Mishra, Ashish Kumar (Royal Society of Chemistry, 2023-04-12)

Thermal transport and exciton dynamics of semiconducting transition metal dichalcogenides (TMDCs) play an immense role in next-generation electronic, photonic, and thermoelectric devices. In this work, we synthesize distinct ...

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