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Nanoscale|October 7, 2025
Tuning polysulfide adsorption and catalytic activity <i>via</i> surface functionalization of Nb<sub>2</sub>TiN<sub>2</sub> MXene in Na-S batteriesSatheesh Mani, Md Mahbubul IslamACS Applied Materials & Interfaces|September 21, 2023
Understanding Catalytic Mechanisms and Cathode Interface Kinetics in Nonaqueous Mg-CO<sub>2</sub> BatteriesRahul Jayan, Md Mahbubul IslamJournal of Chemical Information and Modeling|March 13, 2026
Generative AI-Driven Discovery of Next-Generation Electrolytes for Alkali Metal BatteriesRafiuzzaman Pritom, Md Mahbubul IslamACS Applied Materials & Interfaces|July 21, 2021
Mechanistic Insights into Interactions of Polysulfides at VS<sub>2</sub> Interfaces in Na-S Batteries: A DFT StudyRahul Jayan, Md Mahbubul IslamNanoscale|July 1, 2026
Development of a ReaxFF force field for Na-S chemistry and its application to chemo-mechanical evolution of sodiated sulfurRafiuzzaman Pritom, Md Mahbubul IslamNanoscale|June 26, 2020
Functionalized MXenes as effective polyselenide immobilizers for lithium-selenium batteries: a density functional theory (DFT) studyRahul Jayan, Md Mahbubul IslamACS Applied Materials & Interfaces|October 2, 2024
Mechanistic Insights into the Evolution of Graphitic Carbon from Sulfur Containing Polar Aromatic FeedstockMd Shahriar Nahian, Rafiuzzaman Pritom, Md Mahbubul IslamPhysical Chemistry Chemical Physics : PCCP|December 6, 2017
Role of surface oxidation on the size dependent mechanical properties of nickel nanowires: a ReaxFF molecular dynamics studyGurcan Aral, Md Mahbubul Islam, Adri C T van DuinScientific Reports|November 9, 2017
Atomistic Representation of Anomalies in the Failure Behaviour of Nanocrystalline SiliceneTawfiqur Rakib, Sourav Saha, Mohammad Motalab, et al.Physical Chemistry Chemical Physics : PCCP|April 27, 2021
Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamicsAbrar Faiyad, Md Adnan Mahathir Munshi, Md Mahbubul Islam, et al.Pageof 3