Dr. Persson studies the physics and chemistry of materials using atomistic computational methods and high-performance computing technology, particularly for clean-energy production and storage applications.

In JCAP, Dr. Persson’s research centers around photocathodes which carry out the carbon dioxide reduction reaction that are a central to the establishment of efficient, sustainable CO2 reduction.  Photoelectrode architectures that include a semiconductor-liquid junction and exclude multiple buried p-n junctions are desirable for maximal efficiency and scalability of solar-fuel generation.  To realize this design paradigm, new light absorbers which meet a host of design criteria must be discovered.  Dr. Persson’s team will identify the most promising light absorbers for solar-fuels applications through a multi-faceted materials-discovery platform that combines high-throughput computation and experiments.


Recent Publications

Yan, Q. et al. Mn2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting. Advanced Energy Materials, DOI: 10.1002/aenm.201401840 (2015).

Yu, J. et al. First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst. Chemical Communications 51, 2867-2870, DOI: 10.1039/C4CC08111K (2015).


Additional Information

Persson Group:  http://perssongroup.lbl.gov/