Promising transition metal dichalcogenides for over all water splitting are identified through a screening process as described below. The paper is publish in JMCA.
The role of in-plane interfcae in solar water splitting are extensively studied by first principles calculations and molecular dynmaic simulation.
A capture of Li diffusion on the surafce of 1T-ZrS2 monolayer taken from my paper, published in Applied Surface Science.
The strong optical absorption in [110] directional ZnS—Si core shell nanowires from visible to UV region represents significance to the optoelectronic and energy harvesting devices.
DFT calculations of oxygen evolution/reduction reaction energetics and oxygen vacancies in pristine and defective PNC structures, published in Small.