3 citations · 3 across the 2 of their papers we have counts for
7 papers
Photocatalytic water oxidation on SrTiO [001] surfaces
Vidushi Sharma, Benjamin Bein, Amanda Lai +4
SrTiO is a highly efficient photocatalyst for the overall water splitting reaction under UV irradiation. However, an atomic-level understanding of the active surface sites resp…
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…
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…
The Inherent Behavior of Graphene Flakes in Water: A Molecular Dynamics Study
Priyanka Solanky, Vidushi Sharma, Kamalika Ghatak +2
Graphene-water interaction has been under scrutiny ever since graphene discovery and realization of its exceptional properties. Several computational and experimental reports exist…
Effect of Cobalt Content on the Electrochemical Properties and Structural Stability of NCA Type Cathode Materials
Kamalika Ghatak, Swastik Basu, Tridip Das +2
At present, the most common type of cathode materials, NCA [Li_(1-x)Ni_(0.80)Co_(0.15)Al_(0.05)O_(2), x = 0 to 1], have a very high concentration of cobalt. Since cobalt is toxic a…