Theory-guided Discovery of New Two-dimensional Metal-Chalcogenide Alloys with Exceptional Electrocatalytic Activity
We report the synthesis of new two-dimensional binary alloys of transition-metal dichalcogenides. Some of these alloys show outstanding performance as electrocatalyst in Li-air batteries and for the reduction of CO2.
Amin Salehi Khojin and Robert Klie (University of Illinois Chicago) and Rohan Mishra (Washington University)
Cheaper and efficient catalysts are needed for various energy storage and conversion applications. For example, an effective catalyst can help convert CO2, a greenhouse gas, back into usable fuels. Similarly, Li-air batteries can provide high energy density that makes them excellent for electric cars. However, currently such batteries are limited by the need for a cheap, selective and durable catalyst that can convert oxygen molecules from the air to oxygen atoms for the reaction to proceed.
We report the synthesis of new two-dimensional binary alloys of transition-metal dichalcogenides. Some of these alloys show outstanding performance as electrocatalyst in Li-air batteries and for the reduction of CO2. These alloys were synthesized using temperature-composition phase diagrams predicted using quantum-mechanical calculations and tested for both CO2 reduction and Li-air batteries. The framework of theory-guided discovery of alloys can be extended for other applications.
We report the synthesis of new two-dimensional binary alloys of transition-metal dichalcogenides. Some of these alloys show outstanding performance as electrocatalyst in Li-air batteries and for the reduction of CO2. These alloys were synthesized using temperature-composition phase diagrams predicted using quantum-mechanical calculations and tested for both CO2 reduction and Li-air batteries. The framework of theory-guided discovery of alloys can be extended for other applications.