Thomas Maxisch
Massachusetts Institute of Technology
1 paper in the Anchorcite directory, published in 2006, cited 2,743 times in total.
Research topics
- Catalytic Processes in Materials Science · 1 paper
- Electrocatalysts for Energy Conversion · 1 paper
- Advanced Chemical Physics Studies · 1 paper
Frequent co-authors
- Gerbrand Ceder · 1 paper
Papers
- Oxidation energies of transition metal oxides within the GGA + U frameworkPhysical Review B · 2006 · 2,743 citations
The energy of a large number of oxidation reactions of $3d$ transition metal oxides is computed using the generalized gradient approach (GGA) and $\mathrm{GGA}+\mathrm{U}$ methods. Two substantial contributions to the error in GGA oxidation energies are identified. The first contribution…
Metadata from OpenAlex (CC0).