<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sappati, Subrahmanyam</style></author><author><style face="normal" font="default" size="100%">George, Leena</style></author><author><style face="normal" font="default" size="100%">Swamy, Vincent Paul</style></author><author><style face="normal" font="default" size="100%">Devi, R. Nandini</style></author><author><style face="normal" font="default" size="100%">Ghosh, Prasenjit</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction</style></title><secondary-title><style face="normal" font="default" size="100%">ChemCatChem</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">charge injection</style></keyword><keyword><style  face="normal" font="default" size="100%">descriptor</style></keyword><keyword><style  face="normal" font="default" size="100%">dye-sensitized semiconductors</style></keyword><keyword><style  face="normal" font="default" size="100%">electron-hole separation</style></keyword><keyword><style  face="normal" font="default" size="100%">H-2 evolution</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year></dates><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;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.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article; Early Access</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;4.674&lt;/p&gt;
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