Mahbub Islam

Phone

3135773885

Building

Engineering

Room

2119

Homepage URL

http://aprism.eng.wayne.edu/

Google Scholar URL

https://scholar.google.com/citations?user=kHSMOqwAAAAJ&hl=en

Biography

Research Interests

• Generative AI and Machine Learning to discover new materials for energy storage applications.
• Designing electrocatalysts for metal-CO2 batteries
•  Understanding interfacial chemistries in Li-ion, and Li-S, and Na-S batteries
•  Exploring physics and chemistry of enegetic materials

Research Grants

Publications

 (Selected)

1. Pritom, R.; Jayan, R.; Islam, M. M.* Unraveling the Effect of Single Atom Catalysts on the Charging Behavior of Nonaqueous Mg–CO2 Batteries: A Combined Density Functional Theory and Machine Learning Approach. Journal of Materials Chemistry A 2023, 2335–2348

2. Jayan, R.; Islam, M. M.* Advancing Next-Generation Nonaqueous Mg–CO2 Batteries: Insights into Reaction Mechanisms and Catalyst Design. Journal of Materials Chemistry A 2023, 15915–15923.

3. Understanding Catalytic Mechanisms and Cathode Interface Kinetics in Nonaqueous Mg–CO2 Batteries. ACS Applied Materials and Interfaces 2023, 15 (39), 45895–45904.

4. Nahian, M.S, Jayan, R, Islam, MM; Atomic-scale Insights into Comparative Mechanisms and Kinetics of Na-S and Li-S Batteries, ACS Catalysis, 2022, 12, 7664–7676

5. Jayan, R, Islam M M, Design Principles of Bifunctional Electrocatalyst for Engineered Interfaces in Na-S Batteries; ACS Catalysis, 2021, 15149–15161.

6. Jayan, R; Islam, MM*; Mechanistic Understanding on the Polysulfides Interactions at the VS2 Interfaces: A DFT study, ACS Applied Materials and Interfaces, 2021, 13, 30, 35848–35855

7. Jayan, R.; Islam, M. M.* Functionalized MXenes as Effective Polyselenide Immobilizers for Lithium–Selenium Batteries: A Density Functional Theory (DFT) Study. Nanoscale 2020, 12 (26), 14087–14095

8. Islam, M. M.; mm, G.; Verstraelen, T.; Kaxiras, E.; van Duin, A. C. T. eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations. J. Chem. Theory Comput. 2016, 12 (8), 3463–3472.

9. Islam, M. M.; van Duin, A. C. T. Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An eReaxFF Molecular Dynamics Study. J. Phys. Chem. C 2016, 120 (48), 27128–27134.

10. Islam, M. M.; Strachan, A. Decomposition and Reaction of Polyvinyl Nitrate under Shock and Thermal Loading: A ReaxFF Reactive Molecular Dynamics Study. J. Phys. Chem. C 2017, 121 (40), 22452–22464.

Awards and Honors

• Ralph E. Powe Junior Faculty Enhancement Award 2021
• ACS PRF Doctoral New Investigator, 2021 

Education

Postdoctoral Research Assistant, Purdue University, 2016-2019

Ph.D. in Mechanical Engineering, The Pennsylvania State University, 2016

B.S in Mechanical Engineering, Bangladesh University of Engineering and Technology, Bangladesh, 2009

Laboratory Web Site

 http://aprism.eng.wayne.edu/

Research Description

Affiliated Departments

• Engineering