@article { ISI:000340446300061,
	title = {Photocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light},
	journal = {ACS Applied Materials \& Interfaces},
	volume = {6},
	number = {15},
	year = {2014},
	month = {AUG},
	pages = {12321-12327},
	publisher = {AMER CHEMICAL SOC},
	address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
	abstract = {<p>InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.</p>},
	keywords = {anisotropic structure, H-2 evolution, InFeO3(ZnO)(m), layered oxide, photocatalytic water splitting},
	issn = {1944-8244},
	doi = {10.1021/am501976z},
	author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Devi, R. Nandini}
}
@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}
}
