@article {46420,
	title = {Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction},
	journal = {ChemCatChem},
	year = {2019},
	type = {Article; Early Access},
	abstract = {<p>Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.</p>
},
	keywords = {charge injection, descriptor, dye-sensitized semiconductors, electron-hole separation, H-2 evolution},
	issn = {1867-3880},
	doi = {10.1002/cctc.201901924},
	author = {Sappati, Subrahmanyam and George, Leena and Swamy, Vincent Paul and Devi, R. Nandini and Ghosh, Prasenjit}
}
@article {47066,
	title = {Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters},
	journal = {ChemCatChem},
	volume = {13},
	year = {2021},
	month = {APR},
	pages = {1717-1721},
	type = {Article},
	abstract = {<p>It is highly imaginary that the outcome of a combination of two complementary resources leads to answer an alarming global issue. One such possible example is the solar seawater splitting for {\textquoteleft}clean fuel{\textquoteright} H-2 generation. Since the catalytic activity and stability of the photocatalysts are substantially challenged in seawater, the design of an efficient and stable photocatalyst is highly desirable. Herein, we demonstrate the solar seawater splitting by a two-dimensional polymer catalyst derived from metalloporphyrin bearing multi-hydroxyl groups. A bimetallic (Co and Ni) porphyrin 2D-polymer exhibits excellent long-term durability of 15 cycles of H-2 and O-2 generation in 200 days from pure water without a considerable decrease in efficiency. Detailed studies using river and seawaters also show the reliable performance of the catalyst over repeated cycles. Here the deactivation modes of catalytic activity have been nullified by the layered metalloporphyrin polymer structure through stable pi-pi stacking, signifying the molecular design of 2D-polymer photocatalyst.</p>
},
	keywords = {2D-polymer, Photocatalyst, porphyrin, Self-assembly, water splitting},
	issn = {1867-3880},
	doi = {10.1002/cctc.202002039, Early Access Date = FEB 2021},
	author = {Ranjeesh, Kayaramkodath Chandran and George, Leena and Maibam, Ashakiran and Krishnamurty, Sailaja and Babu, Sukumaran Santhosh}
}
