Constant Inner Potential Density Functional Theory (DFT) Method

Higher education and research, particularly in chemistry, physics, and materials science

Higher education and research, particularly in chemistry, physics, and materials science

Strategic funding for research in hydrogen, sustainable transport, and circular economy

Research funding and support

Computational method developed by Melander and Honkala that enables the inclusion of electrode potential in atomic and electron level simulations of semiconductor electrochemistry.

Semiconductor material used as a prototype in this research for hydrogen evolution. TiO2 is abundant, low-cost, and more sustainable than platinum-based alternatives.

Advanced spectroscopic technique used in experimental validation to characterize charge centers and electronic states during hydrogen evolution.

Central Finland (Jyväskylä)

Research project studying how semiconductor materials enable green hydrogen production through photoelectrochemistry and electrocatalysis, specifically investigating polaron-mediated hydrogen evolution on titanium dioxide surfaces.