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Scientific Reports|January 17, 2018
Interfacial Coupling Effect on Electron Transport in MoS<sub>2</sub>/SrTiO<sub>3</sub> Heterostructure: An Ab-initio StudyAmreen Bano, N K GaurScientific Reports|August 3, 2019
CrI<sub>3</sub>-WTe<sub>2</sub>: A Novel Two-Dimensional Heterostructure as Multisensor for BrF<sub>3</sub> and COCL<sub>2</sub> Toxic GasesAmreen Bano, Jyoti Krishna, Tulika Maitra, et al.Physical Chemistry Chemical Physics : PCCP|February 13, 2019
An ab initio study of sensing applications of MoB<sub>2</sub> monolayer: a potential gas sensorAmreen Bano, Jyoti Krishna, Devendra K Pandey, et al.Scientific Reports|September 29, 2018
MoB<sub>2</sub> Driven Metallic Behavior and Interfacial Charge Transport Mechanism in MoS<sub>2</sub>/MoB<sub>2</sub> Heterostructure: A First-Principles StudyAmreen Bano, Devendra K Pandey, Anchit Modi, et al.Small (Weinheim an Der Bergstrasse, Germany)|January 21, 2026
Strategic Screening of Dopants for Na<sub>0.67</sub>Ni<sub>0.33</sub>Mn<sub>0.67</sub>O<sub>2</sub> Cathodes: A Computational Roadmap for Sodium-Ion Battery InnovationNayan Dey, Arun Venkatnathan, Satishchandra Ogale, et al.Small (Weinheim an Der Bergstrasse, Germany)|September 1, 2025
Black Phosphorus Nanosheets as Efficient Ion Navigators at Room Temperature in Polyacrylonitrile-Based Composite Solid Polymer Electrolyte for Li-Ion BatteriesSwati Jadhav, Laxman Kaulage, Suparna Saha, et al.ACS Applied Materials & Interfaces|February 6, 2026
A Hybrid Bilayer Design to Control Lithium Nucleation and Dendrite Growth in Lithium Metal BatteriesAshwin P V, Supriya Sau, Novotna Seal, et al.Journal of Chemical Theory and Computation|November 24, 2025
Predicting Electrolyte Redox Potential Trends through Long-Range Electrostatics and Configuration Ensembles: Insights from MD and QM/MM SimulationsKhorsed Alam, Shubham Patel, Amreen Bano, et al.Small (Weinheim an Der Bergstrasse, Germany)|December 15, 2025
Role of NaF in Attenuating Interfacial Instability of Lithium Metal Anode: A Strategy to Modulate SEI for Enabling Dendrite Free Lithium Metal BatteriesAnkush Kumar Singh, Mithilesh Patel, Abhinav Pratap Singh Bais, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 6, 2011
The role of lattice distortions in determining the thermal properties of electron doped CaMnO(3)Archana Srivastava, N K GaurPageof 3