Publications in V-Sustain

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2016
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17 NOV

Performance Limits of Photoelectrochemical CO2 Reduction Based on Known Electrocatalysts...

Solar-driven reduction of CO2 to solar fuels as an alternative to H2 via water splitting is an intriguing proposition. We model the solar-to-fuel (STF) efficiencies using...

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15 NOV

Carrier-selective p- and n-contacts for efficient and stable photocatalytic water...

The successful realization of carrier-selective contacts for crystalline silicon (c-Si) based device for photocatalytic hydrogen production has been demonstrated. 

Oxides for CO2 electroreduction
26 OCT

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction...

A detailed understanding of the electrochemical reduction of CO2 into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide...

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19 OCT

Band Gap Tuning and Defect Tolerance of Atomically Thin Two-Dimensional Organic...

Organic–inorganic halide perovskites have proven highly successful for photovoltaics but suffer from low stability, which deteriorates their performance over time. Recent...

Materials data and discovery
14 OCT

Making the most of materials computations

For more than a century, materials scientists have accumulated experimental data on the structures of chemical compounds and the thermal, electronic, and mechanical properties...

Functional Independent Scaling Relation for ORR/OER Catalysts
11 OCT

Functional Independent Scaling Relation for ORR-OER Catalysts

A widely used adsorption energy scaling relation between OH* and OOH* intermediates in the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), has previously...

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