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cond-mat.mtrl-sci2025
Thermoelectric properties of SbXY (X = Se, Te; Y = Br, I) Janus layers
M. Vallinayagam, A. E. Sudheer, A. Kumar +5
We report a comprehensive investigation of the thermoelectric properties of SbXY (X = Se, Te; Y = Br, I) Janus layers (JL) using spin-polarized first-principles calculations. Ab in…
cond-mat.mtrl-sci2025
Prediction of atomic H adsorption energies in metalloid doped MSSe (M = Mo/W) Janus layers: A combined DFT and machine learning study
G. Tejaswini, Anjana E Sudheer, Amrendra Kumar +9
Janus derivatives of 2H MX2 (M = Mo/W; X = S/Se), namely MSSe, have already been experimentally realized and explored for applications in photocatalysis, photovoltaics, and optoele…
cond-mat.mtrl-sci2023
First Principles Investigation on Structural and Optoelectronic Properties of newly designed Janus Lead Halides PbXY (X, Y = F, Cl, Br, I )
Anjana E Sudheer, Golla Tejaswini, D Murali +1
Here, we design a novel class of Janus structures PbXY(X,Y = F, Cl, Br, I) and propose it for the solar mediated photocatalytic water splitting hydrogen production as well as for t…