39 citations · 213 across the 14 of their papers we have counts for
8 papers · 1 filter
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
Vidushi Sharma, Maxwell Giammona, Dmitry Zubarev +5
Advanced computational methods are being actively sought for addressing the challenges associated with discovery and development of new combinatorial material such as formulations.…
Transferable and Robust Machine Learning Model for Predicting Stability of Si Anodes for Multivalent Cation Batteries
Joy Datta, Dibakar Datta, Vidushi Sharma
Data-driven methodology has become a key tool in computationally predicting material properties. Currently, these techniques are priced high due to computational requirements for g…
Developing Potential Energy Surfaces for Graphene-based 2D-3D Interfaces from Modified High Dimensional Neural Networks for Applications in Energy Storage
Vidushi Sharma, Dibakar Datta
Mixed-dimensional heterostructures composed of two-dimensional (2D) and three-dimensional (3D) materials are undisputed next-generation materials for engineered devices due to thei…
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…
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…
Amorphous Germanium as a Promising Anode Material for Sodium Ion Batteries: A First Principle Study
Vidushi Sharma, Kamalika Ghatak, Dibakar Datta
The abundance of Sodium (Na), its low-cost, and low reduction potential provide a lucrative inexpensive, safe, and environmentally benign alternative to Lithium Ion Batteries (LIBs…