24 citations · 74 across the 14 of their papers we have counts for
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Alkalized Borazine: A Simple Recipe to Design Superalkali Species
Ambrish Kumar Srivastava, Neeraj Misra
We propose a simple yet effective route to the design of superalkalis, by successive alkali metal substitution in borazine (B3N3H6). Using Li atoms, our density functional calculat…
Competition between Alkalide Characteristics and Nonlinear Optical Properties in OLi3-M-Li3O (M=Li, Na and K) Complexes
Ambrish Kumar Srivastava, Neeraj Misra
Alkalides possess enhanced nonlinear optical (NLO) responses due to localization of excess electrons on alkali metals. We have proposed a new class of alkalides by sandwiching alka…
Superhalogens as Building Blocks of Complex Hydrides for Hydrogen Storage
Ambrish Kumar Srivastava, Neeraj Misra
Superhalogens are species whose electron affinity (EA) or vertical detachment energy (VDE) exceed to those of halogen. These species typically consist of a central electropositive…
Designing New Electrolytes for Lithium Ion Batteries Using Superhalogen Anions
Ambrish Kumar Srivastava, Neeraj Misra
The electrolytes used in Lithium Ion Batteries (LIBs) such as LiBF4, LiPF6 etc. are Li-salts of some complex anions, BF4-, PF6- etc. The investigation shows that the vertical detac…