Two dimensional materials have shown great promise in a variety of electrochemical energy conversion and storage applications, and their further developments require an improved understanding of the atomistic mechanisms and effective design principles. I will discuss how the electronic structure of 2D materials controls atoms adsorption, and use this understanding to explain a number of puzzles, including: why structurally similar C forms have distinct binding energies with Li, and why graphite has a low Na capacity while a high capacity for other alkaline metals. This understanding also leads us to new catalysts for water splitting. Finally, I will discuss an important but often-overlooked factor in modeling electrocatalysis of 2D materials: the surface charge, which highlights the necessity to elucidate the electrochemical mechanism of 2D materials by incorporating charge effects.

Electronic structure underlying electrochemistry of 2D materials

2019 Fall National Meeting

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