TY  - JOUR 
AU  - German Gorosito, Estefanía
AU  - Gebauer, Ralph
PY  - 2023
SN  - 1420-3049
UR  - https://uvadoc.uva.es/handle/10324/66517
AB  - Density functional theory (DFT) calculations are employed to study the oxygen evolution reaction (OER) on the edges of stripes of monolayer molybdenum disulfide. Experimentally, this material has been shown to evolve oxygen, albeit with low...
LA  - eng
PB  - MDPI
KW  - Oxygen evolution reaction
KW  - Water - Electrolysis
KW  - Electrólisis
KW  - Density functionals
KW  - Mathematical physics
KW  - Física matématica
KW  - Molybdenum disulfide
KW  - Analytical chemistry
TI  - The oxygen evolution reaction at MoS2 edge sites: The role of a solvent environment in DFT-based molecular simulations
DO  - 10.3390/molecules28135182
ER  -