3 citations · 3 across the 5 of their papers we have counts for
5 papers
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…
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…
Thermoelectric properties of Lead halide Janus layers -- A theoretical investigation
A. E. Sudheer, M Vallinayagam, G Tejaswini +5
Thermoelectric materials offer a promising route for efficient heat-to-power conversion. In search of materials functional at high and low operating temperatures, we investigate th…
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…
Ab initio insights on the ultrafast strong-field dynamics of anatase TiO
Sruthil Lal S. B, Lokamani, Kushal Ramakrishna +5
Electron dynamics of anatase TiO under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our…