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First-Principles Investigation of Structural, Electronic, and Thermoelectric Properties of 1T-NiTe2 Monolayer

Burcu Yilmaz, Ese Akpinar

We present the first systematic first-principles investigation of the structural, electronic, and thermoelectric transport properties of the pristine 1T-NiTe₂ monolayer, addressing a critical gap in t...

Scientific Reports 2026-04-22 rs-9383060
1T-NiTe2 Thermoelectric properties Type-II Dirac semimetal Density functional theory Monolayer Boltzmann transport
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