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in creator/contributor: "Salter, E A"

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Ab initio study of Al(III) adsorption on stepped {100} surfaces of KDP crystals

Crystals of potassium dihydrogen phosphate (KH{sub 2}PO{sub 4}, KDP) are grown in large scale for use as nonlinear material in laser components. Traces of trivalent metal impurities are often added to the supernatant to achieve habit control during crystal growth, selectively inhibiting the growth of the {l_brace}100{r_brace} face. Model systems representing AlPO{sub 4}-doped KDP {l_brace}100{r_brace} stepped surfaces are prepared and studied using ab initio quantum methods. Results of Hartree-… more

Date: April 1, 2004

Creator: Salter, E A; Wierzbicki, A & Land, T A

Item Type: Article

Partner: UNT Libraries Government Documents Department

open access

Modulation of calcium oxalate monohydrate crystallization by citrate through selective binding to atomic steps

The majority of human kidney stones are composed primarily of calcium oxalate monohydrate (COM) crystals. Thus, determining the molecular mechanisms by which urinary constituents modulate calcium oxalate crystallization is crucial for understanding and controlling urolithiassis in humans. A comprehensive molecular-scale view of COM shape modification by citrate, a common urinary constituent, obtained through a combination of in situ atomic force microscopy (AFM) and molecular modeling is now pr… more

Date: October 19, 2004

Creator: Qiu, S. R.; Wierzbicki, A.; Salter, E. A.; Zepeda, S.; Orme, C. A.; Hoyer, J. R. et al.