Search Results - "Marutheeswaran, S."

Adamantane-Derived Carbon Nanothreads: High Structural Stability and Mechanical Strength by Marutheeswaran, S, Jemmis, Eluvathingal D

“…We study the stability and mechanical properties of adamantane-derived nanothreads (ANTs) and compare them with benzene-derived nanothreads (BNTs) using the…”
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Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study by Marutheeswaran, S, Mishra, Shashi B, Roy, Somnath C, Nanda, B. R. K

“…Understanding the mechanism of NO2 interaction on semiconductor surfaces such as TiO2 is a key step in designing the catalytic processes for conversion of NO2…”
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Adsorption and degradation mechanism of 2,4,6-trinitrotoluene on TiO2 (110) surface by Mishra, Shashi B., Marutheeswaran, S., Roy, Somnath C., Natarajan, V., Rai, P.K., Nanda, B.R.K.

“…•Adsorption and degradation mechanism of 2,4,6- TNT on rutile (110) TiO2 surface.•Prediction of transformation of 2,4,6- TNT to trinitrobenzoic acid on TiO2…”
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Electronic structure study on 2D hydrogenated Icosagens nitride nanosheets by Ramesh, S., Marutheeswaran, S., Ramaclus, Jerald V., Paul, Dolon Chapa

“…Perspective view of fully hydrogenated Ha–MN–Hb (M=B, Al, Ga and In) nanosheet. [Display omitted] •Binding energy indicates the hydrogenated Icosagens nano…”
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Mechanistic Understanding of NO 2 Dissociation on a Rutile TiO 2 (110) Surface: An Electronic Structure Study by Marutheeswaran, S., Mishra, Shashi B., Roy, Somnath C., Nanda, B. R. K.

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Deltahedra with holes: Structural preferences of supraicosahedral boranes by Pancharatna, Pattath D., Marutheeswaran, S., Austeria, Muthu P., Balakrishnarajan, Musiri M.

“…A systematic computational enquiry reveals that larger supraicosahedral boranes prefer squares and pentagonal holes in their deltahedral structures and still…”
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