@article {4421,
	title = {Atomistic insights into highly active reconstructed edges of monolayer 2H-WSe2 photocatalyst},
	journal = {Nature Communications},
	volume = {13},
	year = {2022},
	note = {<p>n/a</p>
},
	month = {2022},
	pages = {1256},
	abstract = {<p>Ascertaining the function of in-plane intrinsic defects and edge atoms is necessary for developing efficient low-dimensional photocatalysts. We report the wireless photocatalytic CO2 reduction to CH4 over reconstructed edge atoms of monolayer 2H-WSe2 artificial leaves. Our first-principles calculations demonstrate that reconstructed and imperfect edge configurations enable CO2 binding to form linear and bent molecules. Experimental results show that the solar-to-fuel quantum efficiency is a reciprocal function of the flake size. It also indicates that the consumed electron rate per edge atom is two orders of magnitude larger than the in-plane intrinsic defects. Further, nanoscale redox mapping at the monolayer WSe2{\textendash}liquid interface confirms that the edge is the most preferred region for charge transfer. Our results pave the way for designing a new class of monolayer transition metal dichalcogenides with reconstructed edges as a non-precious co-catalyst for wired or wireless hydrogen evolution or CO2 reduction reactions.</p>
},
	isbn = {2041-1723},
	url = {https://doi.org/10.1038/s41467-022-28926-0},
	author = {Mohammad Qorbani and Sabbah, Amr and Lai, Ying-Ren and Kholimatussadiah, Septia and Quadir, Shaham and Huang,Chih-Yang and Indrajit Shown and Yi-Fan Huang and Hayashi, Michitoshi and Kuei-Hsien Chen and Li-Chyong Chen}
}
