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Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study

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dc.contributor.author Mkhonto, D
dc.contributor.author De Leeuw, NH
dc.date.accessioned 2009-05-11T14:29:25Z
dc.date.available 2009-05-11T14:29:25Z
dc.date.issued 2008-01
dc.identifier.citation Mkhonto, D and De Leeuw, NH. 2008. Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study. Journal of Materials Science Materials in Medicine. Vol. 19, pp 203-216 en
dc.identifier.issn 0957-4530
dc.identifier.uri http://hdl.handle.net/10204/3372
dc.description Copyright: 2007 Springer Science and Business Media en
dc.description.abstract Computer modelling techniques were employed to investigate the effect of surface silanol groups on the strength of adhesion of apatite thin films to silica surfaces. To this end, the researchers have studied a series of silica surfaces with different silanol densities and calculated their interaction with apatite thin films. The findings indicate that apatite does not attach strongly to surface hydroxy groups, but that apatite should deposit at dehydrated silica surfaces, especially when the surface silicon and oxygen species rearrange to form O–Si–O links. Any dangling silicon and oxygen bonds at the silica surfaces are saturated by coordination to oxygen and calcium atoms in the apatite layer, but the extra reactivity afforded by these under coordinated surface species does not necessarily lead to more favourable substrate/film interactions. The lowest energy silica/apatite interfaces are those where an undistorted apatite layer can be deposited on a regular, stable substrate surface. The researchers’ simulations support the suggestion, that in vivo surface hydroxy groups are first condensed to form O–Si–O bridges before deposition and growth of apatite en
dc.language.iso en en
dc.publisher Springer Science and Business Media en
dc.subject Silanol groups en
dc.subject Apatite en
dc.subject Silica en
dc.subject Computer modelling en
dc.subject Hydroxy groups en
dc.title Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study en
dc.type Article en
dc.identifier.apacitation Mkhonto, D., & De Leeuw, N. (2008). Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study. http://hdl.handle.net/10204/3372 en_ZA
dc.identifier.chicagocitation Mkhonto, D, and NH De Leeuw "Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study." (2008) http://hdl.handle.net/10204/3372 en_ZA
dc.identifier.vancouvercitation Mkhonto D, De Leeuw N. Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study. 2008; http://hdl.handle.net/10204/3372. en_ZA
dc.identifier.ris TY - Article AU - Mkhonto, D AU - De Leeuw, NH AB - Computer modelling techniques were employed to investigate the effect of surface silanol groups on the strength of adhesion of apatite thin films to silica surfaces. To this end, the researchers have studied a series of silica surfaces with different silanol densities and calculated their interaction with apatite thin films. The findings indicate that apatite does not attach strongly to surface hydroxy groups, but that apatite should deposit at dehydrated silica surfaces, especially when the surface silicon and oxygen species rearrange to form O–Si–O links. Any dangling silicon and oxygen bonds at the silica surfaces are saturated by coordination to oxygen and calcium atoms in the apatite layer, but the extra reactivity afforded by these under coordinated surface species does not necessarily lead to more favourable substrate/film interactions. The lowest energy silica/apatite interfaces are those where an undistorted apatite layer can be deposited on a regular, stable substrate surface. The researchers’ simulations support the suggestion, that in vivo surface hydroxy groups are first condensed to form O–Si–O bridges before deposition and growth of apatite DA - 2008-01 DB - ResearchSpace DP - CSIR KW - Silanol groups KW - Apatite KW - Silica KW - Computer modelling KW - Hydroxy groups LK - https://researchspace.csir.co.za PY - 2008 SM - 0957-4530 T1 - Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study TI - Effect of surface silanol groups on the deposition of apatite onto silica surfaces: a computer simulation study UR - http://hdl.handle.net/10204/3372 ER - en_ZA


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