Supporting Information for “Energetics and solvation effects at the photoanode-catalyst interface: Ohmic contact versus Schottky barrier”
نویسندگان
چکیده
Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, California, 94720, United States; California Institute of Technology, Pasadena, California, 91125, United States, Materials and Process Simulation Center, California Institute of Technology, Pasadena, CA 91125, United States, and Institute for Molecular Engineering, The University of Chicago, 5801 South Ellis Avenue, Chicago, IL 60637
منابع مشابه
Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier.
The design of optimal interfaces between photoelectrodes and catalysts is a key challenge in building photoelectrochemical cells to split water. Iridium dioxide (IrO2) is an efficient catalyst for oxygen evolution, stable in acidic conditions, and hence a good candidate to be interfaced with photoanodes. Using first-principles quantum mechanical calculations, we investigated the structural and ...
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