SinoXiv
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results found
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...
1T-NiTe2
Thermoelectric properties
Type-II Dirac semimetal
Density functional theory
Monolayer
Boltzmann transport
We report a detailed characterisation of the preparation of 5,6-cellulosene, a poorly investigated reactive cellulose derivative. A key literature procedure is followed, which utilises partially hydro...
cellulose acetate
computational chemistry
density functional theory (DFT)
NMR spectroscopy
regioselectivity
thiol–ene click chemistry
