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Insights / Technologies / Constant Inner Potential Density Functional Theory (DFT)

Constant Inner Potential Density Functional Theory (DFT)

1 mention

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

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Often mentioned with · Organizations

Research Council of Finland
Research funding and support
other Finland 1 mention
Multiple Chinese universities and research institutes
Higher education and research
other China 1 mention
Central Finland Mobility Foundation (Cefmof)
Strategic funding for research in hydrogen, sustainable transport, and circular economy
other Finland 1 mention
Organizations
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Often mentioned with · Locations

Central Finland (Jyväskylä)
Central Finland (Jyväskylä)
FI 1 mention

Often mentioned with · Projects

Semiconductor Electrodes for Hydrogen Evolution
Research project studying how semiconductor materials enable green hydrogen production through photoelectrochemistry and electrocatalysis, specifically investigating polaron-mediated hydrogen evolution on titanium dioxide surfaces.
1 mention

Often mentioned with · Facilities

University of Jyväskylä Research Laboratories
1 mention

Often mentioned with · Products

Constant Inner Potential Density Functional Theory (DFT) Method
Computational method for modeling semiconductor electrochemistry at atomic and electron levels, enabling inclusion of electrode potential effects in simulations
1 mention
TiO2 Semiconductor Electrode for Hydrogen Evolution
Prototype semiconductor electrode material demonstrating polaron-mediated hydrogen evolution reaction as alternative to platinum-based catalysts
1 mention

Often mentioned with · People

Professor Karoliina Honkala
Finland 1 mention
Senior Lecturer Marko Melander
Finland 1 mention

Often mentioned with · Research studies

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction
1 mention

In the news (1)

Hydrogen production with semiconductor TiO2 electrodes

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