21 citations · 79 across the 6 of their papers we have counts for
6 papers
Silicene nanosheet to discriminate the quality of pear fruit based on volatiles adsorption --- a DFT application
R. Keerthi Bhavadharani, V. Nagarajan, R. Chandiramouli
We report the interaction between the silicene nanosheet (Si-NS) and volatile organic compounds (VOCs) released from the pear fruit (Pyrus communis) in ripened and over-ripened sta…
Nitrogen dioxide and ammonia gas molecules interaction studies on phosphorene nanosheet --- a DFT investigation
V. Nagarajan, R. Chandiramouli
The adsorption behaviour of hazardous gas molecules, namely nitrogen dioxide (NO) and ammonia (NH), on phosphorene nanosheet (PNS) was explored by means of ab initio techni…
Switching behaviour of stilbene molecular device: a first-principles study
V. Nagarajan, R. Chandiramouli
The switching behaviour of stilbene molecular system (SMS) device is investigated with the help of non-equilibrium Green's function (NEGF) approach using first principles calculati…
Sensing behavior of acetone vapors on TiO nanostructures --- application of density functional theory
V. Nagarajan, S. Sriram, R. Chandiramouli
The electronic properties of TiO nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO nanostructure are studied in terms…
Investigation on nickel ferrite nanowire device exhibiting negative differential resistance a first-principles investigation
V. Nagarajan, R. Chandiramouli
The electronic property of NiFeO nanowire device is investigated through nonequilibrium Green's functions (NEGF) in combination with density functional theory (DFT). The el…
Interaction of NH gas on -MoO nanostructures a DFT investigation
V. Nagarajan, R. Chandiramouli
The structural stability, electronic properties and NH adsorption properties of pristine, Ti, Zr and F substituted -MoO nanostructures are successfully studied using den…