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Qorbani, M, Sabbah A, Lai Y-R, Kholimatussadiah S, Quadir S, Huang C-Y, Shown I, Huang Y-F, Hayashi M, Chen K-H, Chen L-C.  2022.  Atomistic insights into highly active reconstructed edges of monolayer 2H-WSe2 photocatalyst, 2022. Nature Communications. 13(1):1256. AbstractWebsite

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–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.

Qorbani, M, Chou T-chin, Lee Y-H, Samireddi S, Naseri N, Ganguly A, Esfandiar A, Wang C-H, Chen L-C, Chen K-H, Moshfegh AZ.  2017.  Multi-porous Co3O4 nanoflakes @ sponge-like few-layer partially reduced graphene oxide hybrids: towards highly stable asymmetric supercapacitors. Journal of Materials Chemistry A. 5:12569-12577.
Quadir, S, Qorbani M, Sabbah A, Wu T-S, kumar Anbalagan A, Chen W-T, Valiyaveettil SM, Thong H-T, Wang C-W, Cheng-YingChen, Lee C-H, Chen K-H, Chen L-C.  2022.  Short- and Long-Range Cation Disorder in (AgxCu1–x)2ZnSnSe4 Kesterites, 2022. Chemistry of Materials. : American Chemical Society AbstractWebsite

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Quadir, S, Qorbani M, Lai Y-R, Sabbah A, Thong H–T, Hayashi M, Chen C–Y, Chen K–H, Chen L–C.  2021.  Impact of Cation Substitution in (AgxCu1−x)2ZnSnSe4 Absorber-Based Solar Cells toward 10% Efficiency: Experimental and Theoretical Analyses, 2021. Solar RRLSolar RRL. n/a(n/a):2100441.: John Wiley & Sons, Ltd AbstractWebsite

Solar cells based on kesterite Cu2ZnSnSe4 (CZTSe) compounds with earth-abundant elements are highly desirable for the low-cost and high-efficiency production of renewable energy. However, the occurrence of intrinsic defects substantially impairs the photovoltaic properties of CZTSe. Herein, a cation substitution method to control and passivate the defect states in bandgap of kesterite CZTSe by incorporating Ag ions is introduced. Intensity-dependent low-temperature photoluminescence measurements show that Ag incorporation can reduce the density and depth of intrinsic defects in CZTSe. The results reveal that 10% Ag-alloyed CZTSe provides the shallowest defect states and less nonradiative recombination. It is also confirmed by first-principles calculations that Ag incorporation enables the formation and suppresses the beneficial and detrimental defects, respectively. Based on the theoretical results, the observed subband photoluminescence peaks can be assigned to the intrinsic point and cluster defects. The best power conversion efficiency of 10.2% is achieved for the 10% Ag-alloyed CZTSe cell, along with an enhanced open-circuit voltage. These results open up a new avenue for further improving the performances of CZTSe-based device via defect engineering.