Evangelos Miliordos
Auburn University, AL·Chemistry
Some materials hold electrons that do not belong to any single atom. Instead, these electrons spread out in the spaces between atoms or layers.
- Fields
Chemistry
Materials Science
Physics
- Topics
electrides
solvated electrons
solvated electron precursors
- Grants
- 1 known grant, through Aug 2028
What they work on
- Model solvated electron precursors joined by molecular bridges (linked-SEPEs) using high-level multi-reference and density functional calculations to reveal how their diffuse electrons behave.
- Simulate solvated electron precursors immobilized on surfaces using molecular and periodic computational approaches to link structure to electronic and magnetic properties.
- Derive design guidelines from varying metals, ligands, surfaces and linkers for low-barrier catalysts, lower electrochemical overpotentials, multi-electron redox reactions and long-coherence qubits.
More about the research
Such diffuse electrons could give rise to new electronic and magnetic properties useful for chemistry and quantum computing. However, they are hard to describe with theory, which makes it hard to link their behavior to the molecular structure. This project uses computer simulations to understand and design solvated electron precursor electrides (SEPEs), a new class of materials built around these electrons.
Why it matters
Design rules for solvated-electron materials could guide experimental chemists toward catalysts that need less energy, more efficient electrochemical processes, and reactions that transfer several electrons. They may also guide the design of quantum bits that keep their quantum state longer, a key need for quantum information technologies.
Known grants
From NIH and NSF research grants. Labs often have other funding we can't see.
Closest labs
Srinivasan Iyengar
Indiana University, IN·Chemistry
Implement the graph-theory-based fragmentation method asynchronously on hybrid quantum/classical hardware, sending the steepest-scaling calculations to quantum processors and the molecular decomposition to classical computers.
Yubo Qi
University of Alabama at Birmingham, AL·Physics
Develop a deep-learning-based, multifunctional computational method that reproduces density functional theory predictions of electron behavior while scaling to systems far larger than direct calculations allow.
Mark Lipke
Rutgers University-New Brunswick, NJ·Chemistry
Measure how water trapped inside redox-active porphyrin nanocages changes the acidity of acid-bearing guest molecules and their combined proton-electron transfer, using electrochemistry and 1H NMR to quantify water uptake.
The school
Auburn University: 11 labs on PI Pages, $394M a year on research, 327 research doctorates a year.
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