PIPages
Labs

Md Mahbubul Islam

Wayne State University, MI·Materials Science·Early-career

Lithium-ion batteries power most of today's electronics and electric vehicles. But lithium is scarce and costly, and its supply chain is vulnerable, which limits how far these batteries can scale for grid storage and transportation.

Fields

Materials Science

Chemistry

Engineering

Topics

magnesium-CO2 batteries

Mg-CO2

sodium-sulfur batteries

Grants
2 known grants, through Feb 2030

What they work on

  1. Predict how structure relates to catalytic activity for single-atom catalysts on nitride MXenes and transition metal oxides in Mg-CO2 batteries, using density functional theory combined with machine learning.
  2. Map the pathways by which the electrolyte decomposes and forms the solid electrolyte interphase, a protective film, on magnesium anodes, using eReaxFF reactive molecular dynamics simulations.
  3. Study reaction kinetics and mechanisms at the cathode–electrolyte interface of nonaqueous Mg-CO2 batteries with multi-scale simulations validated by experimental collaborators.
  4. Computationally screen cation and anion dopants in MoSe2, a layered catalyst, to find ones that trap sodium polysulfides and speed their conversion, curbing the shuttle effect in room-temperature Na-S batteries.
  5. Make doped MoSe2 catalysts, test their performance in Na-S batteries, and track interface reactions using ReaxFF simulations, in situ TEM, electron energy loss spectroscopy and differential electrochemical mass spectrometry.

More about the research

Batteries built from abundant elements such as magnesium, sodium and sulfur could be cheaper alternatives. However, unwanted chemistry where the electrodes meet the electrolyte (the liquid that carries ions) cripples their performance. Both projects study these interfaces at the level of individual atoms, mainly with computer simulation checked against experiments.

Why it matters

Sodium and magnesium are abundant and inexpensive, so better Na-S and Mg-CO2 batteries could give electric vehicles and grid-scale renewable energy storage an option that is less exposed to lithium shortages. Mg-CO2 batteries could also consume CO2 while generating electricity. Design rules for catalysts and interfaces could guide engineers toward longer-lasting, high-capacity rechargeable batteries.

Known grants

From NIH and NSF research grants. Labs often have other funding we can't see.

CAREER: Computational Insights into Interfacial Chemistries in Nonaqueous Batteries

NSF · Mar 2025 – Feb 2030

Collaborative Research: An Integrated Experimental and Computational Approach to Reveal Adsorption-Catalysis Cathode Design Principles for Na-S Batteries

NSF · Aug 2024 – Jul 2027

Closest labs

Jose Mendoza-Cortes

Michigan State University, MI·Chemistry

Determine whether oxygen–oxygen bonds form by nucleophilic attack or radical coupling in a manganese cubane with a dangling Mn(V)=O unit, combining kinetics, isotope labeling, EPR, X-ray spectroscopy and quantum-chemical calculations.

Dongchang Chen

University of New Mexico, NM·Chemistry

Identify which large oligomer molecules, formed when carbonate ester solvents link together, populate the solid-electrolyte and cathode-electrolyte interphases, using MALDI mass spectrometry on a series of model electrodes.

James Penner-Hahn

University of Michigan, MI·Chemistry

Clarify reaction mechanisms in sulfur composite cathodes that use the garnet solid electrolyte LLZO, using model systems, electroanalytical techniques, and in operando and ex-situ X-ray analyses that track chemistry during and after battery operation.

The school

Wayne State University: 21 labs on PI Pages, $292M a year on research, 194 research doctorates a year.

More about Wayne State University

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