Browsing by Author "Kaware, Vaibhav"

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Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study

Susan, Anju; Kibey, Aniruddha; Kaware, Vaibhav; Joshi, Kavita (American Institute of Physics, 2023-01-02)

We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a ...
Pt-nanoparticle functionalized carbon nanoonions for ultra-high energy supercapacitors and enhanced field emission behaviour

Suryawanshi, Sachin R.; Kaware, Vaibhav; Chakravarty, Disha; Walke, Pravin S.; More, Mahendra A.; Joshi, Kavita; Rout, Chandra Sekhar; Late, Dattatray J. (Royal Society of Chemistry, 2023-01-02)

In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine ...
Scaling up the shape: a novel growth pattern of gallium clusters

Kaware, Vaibhav; Joshi, Kavita (American Institute of Physics, 2023-01-02)

Putative global minima for Ga+ N clusters with size “N” ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We ...
Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers

Dash, Jyotirmayee; Ray, Shaumik; Nallappan, Kathirvel; Kaware, Vaibhav; Basutkar, Nitin; Gonnade, Rajesh G.; Ambade, Ashootosh V.; Joshi, Kavita; Pesala, Bala (American Chemical Society, 2023-01-02)

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal ...

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Browsing by Author "Kaware, Vaibhav"

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