Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)

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Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)

We have used density functional calculations to examine the (101) surfaces of KDP, under vacuum, nitrogen, and aqueous conditions, and these simulations are found to agree well with nanoscale experimental studies demonstrating that the density functional calculations are providing a good description...

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Bibliographic Details
Main Authors:	Carter, Damien, Rohl, Andrew, Gale, Julian
Format:	Journal Article
Published:	American Chemical Society 2006
Online Access:	http://hdl.handle.net/20.500.11937/34330

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