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Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b10329
Abstract: Water/solid interfaces are relevant and have been studied extensively, however, with little understanding on stepped surfaces. We use a genetic algorithm method on top of density functional theory to determine water structures on Pt(221) and…
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Keywords:
water structures;
evolution water;
water;
stepped platinum ... See more keywords
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Published in 2022 at "ACS Nano"
DOI: 10.1021/acsnano.2c09115
Abstract: Clean oxide surfaces are generally hydrophilic. Water molecules anchor at undercoordinated surface metal atoms that act as Lewis acid sites, and they are stabilized by H bonds to undercoordinated surface oxygens. The large unit cell…
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Keywords:
water structures;
unit cell;
water;
surface ... See more keywords