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ACS Applied Materials & Interfaces|February 15, 2022
Elucidating Synergistic Mechanisms of Adsorption and Electrocatalysis of Polysulfides on Double-Transition Metal MXenes for Na-S BatteriesMd Shahriar Nahian, Rahul Jayan, Thanayut Kaewmaraya, et al.
Physical Chemistry Chemical Physics : PCCP|December 3, 2015
Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics studyMd Mahbubul Islam, Chenyu Zou, Adri C T van Duin, et al.
Physical Chemistry Chemical Physics : PCCP|March 18, 2021
Nanomechanics of antimonene allotropes under tensile loadingTanmay Sarkar Akash, Rafsan A S I Subad, Pritom Bose, et al.
The Journal of Chemical Physics|April 15, 2023
High-pressure and temperature neural network reactive force field for energetic materialsBrenden W Hamilton, Pilsun Yoo, Michael N Sakano, et al.
Physical Chemistry Chemical Physics : PCCP|December 9, 2020
Atomic-scale analysis of the physical strength and phonon transport mechanisms of monolayer β-bismutheneEmdadul Haque Chowdhury, Md Habibur Rahman, Pritom Bose, et al.
ACS Applied Materials & Interfaces|May 27, 2023
Regulating Surface Charge by Embedding Ru Nanoparticles over 2D Hydroxides toward Water OxidationArun Karmakar, Rahul Jayan, Ankit Das, et al.
RSC Advances|May 13, 2022
Tuning the mechanical properties of silicene nanosheet by auxiliary cracks: a molecular dynamics studyShahriar Muhammad Nahid, Shahriar Nahian, Mohammad Motalab, et al.
Small (Weinheim an Der Bergstrasse, Germany)|July 6, 2024
Tailoring Mott-Schottky RuO<sub>2</sub>/MgFe-LDH Heterojunctions in Electrospun Microfibers: A Bifunctional Electrocatalyst for Water ElectrolysisSreenivasan Nagappan, Rahul Jayan, Nisarga Rajagopal, et al.
Journal of Chemical Theory and Computation|July 12, 2016
eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field SimulationsMd Mahbubul Islam, Grigory Kolesov, Toon Verstraelen, et al.
ACS Nano|July 30, 2021
Atomistic Insights on the Full Operation Cycle of a HfO<sub>2</sub>-Based Resistive Random Access Memory Cell from Molecular DynamicsM Laura Urquiza, Md Mahbubul Islam, Adri C T van Duin, et al.
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