23 citations · 71 across the 7 of their papers we have counts for
4 papers · 1 filter
Understanding the Strength of the Selenium -- Graphene Interfaces
Vidushi Sharma, David Mitlin, Dibakar Datta
We present a comprehensive first-principles Density Functional Theory (DFT) analyses of the interfacial strength and bonding mechanisms between crystalline and amorphous selenium(S…
Variation in interface strength of Silicon with surface engineered Ti3C2 MXenes
Vidushi Sharma, Dibakar Datta
Current advancements in battery technologies require electrodes to combine high-performance active material such as Silicon (Si) with two-dimensional materials such as transition m…
Proton-transfer dynamics in ionized water chains using real-time Time Dependent Density Functional Theory
Vidushi Sharma, Marivi Fernández-Serra
In density functional-theoretic studies of photoionized water-based systems, the role of charge localization in proton-transfer dynamics is not well understood. This is due to the…
Water-induced formation of an alkali-ion dimer in cryptomelane nanorods
Shaobo Cheng, Vidushi Sharma, Altug S. Poyraz +7
Tunneled metal oxides such as MnO (hollandite) have proven to be compelling candidates for charge-storage materials in high-density batteries. In particular, the tun…