Stable Janus TaSe2 single-layers via surface functionalization
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DOI: 10.1016/j.apsusc.2020.148064
Abstract: Abstract First-principles calculations are performed in order to investigate the formation of Janus structures of single-layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2),… read more here.
Keywords: janus; janus tase2; surface functionalization; single layers ... See more keywords
Novel Janus GaInX3 (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties
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DOI: 10.1039/d1ra09458k
Abstract: In this paper, the structural, electronic, and transport properties of Janus GaInX3 (X = S, Se, Te) single-layers are investigated by a first-principles calculations. All three structures of GaInX3 are examined to be stable based… read more here.
Keywords: janus gainx3; gainx3 single; electronic transport; structural electronic ... See more keywords