Decoupling Local Disorder and Optical Effects in Infrared Spectra: Differentiating Between Calcites with Different Origins

被引:95
作者
Poduska, Kristin M. [1 ,2 ]
Regev, Lior [2 ]
Boaretto, Elisabetta [2 ,3 ]
Addadi, Lia [2 ]
Weiner, Steve [2 ]
Kronik, Leeor [2 ]
Curtarolo, Stefano [2 ,4 ]
机构
[1] Mem Univ Newfoundland, St John, NF A1B 3X7, Canada
[2] Weizmann Inst Sci, IL-76100 Rehovot, Israel
[3] Bar Ilan Univ, IL-52900 Ramat Gan, Israel
[4] Duke Univ, Durham, NC 27708 USA
关键词
BIOGENIC CALCITE; AB-INITIO; CARBONATE;
D O I
10.1002/adma.201003890
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Infrared spectral peak broadening due to atomic disorder and narrowing due to particle-size-related optical absorption effects can be decoupled experimentally and theoretically. Applied to different sources of polycrystalline calcite, the method provides a powerful diagnostic tool for archaeology, geology, and materials/biomaterials science.
引用
收藏
页码:550 / +
页数:6
相关论文
共 20 条
[1]   Taking advantage of disorder: Amorphous calcium carbonate and its roles in biomineralization [J].
Addadi, L ;
Raz, S ;
Weiner, S .
ADVANCED MATERIALS, 2003, 15 (12) :959-970
[2]   DEFINITIONS OF TERMS RELATING TO CRYSTALLINE POLYMERS [J].
ALLEGRA, G ;
CORRADINI, P ;
ELIAS, HG ;
GEIL, PH ;
KEITH, HD ;
WUNDERLICH, B .
PURE AND APPLIED CHEMISTRY, 1989, 61 (04) :769-785
[3]   Autocorrelation infrared analysis of mineralogical samples: The influence of user controllable experimental parameters [J].
Blanch, Adam J. ;
Quinton, Jamie S. ;
Lenehan, Claire E. ;
Pring, Allan .
ANALYTICA CHIMICA ACTA, 2007, 590 (02) :145-150
[4]   Differentiating between anthropogenic calcite in plaster, ash and natural calcite using infrared spectroscopy: implications in archaeology [J].
Chu, Vikki ;
Regev, Lior ;
Weiner, Steve ;
Boaretto, Elisabetta .
JOURNAL OF ARCHAEOLOGICAL SCIENCE, 2008, 35 (04) :905-911
[5]  
CURTAROLO S, 2010, SOFTWARE HIGH THROUG
[6]   THE INFRA-RED ANALYSIS OF SOLID SUBSTANCES - A REVIEW [J].
DUYCKAERTS, G .
ANALYST, 1959, 84 (997) :201-214
[7]   Stable Prenucleation Calcium Carbonate Clusters [J].
Gebauer, Denis ;
Voelkel, Antje ;
Coelfen, Helmut .
SCIENCE, 2008, 322 (5909) :1819-1822
[8]   Local atomic order and infrared spectra of biogenic calcite [J].
Gueta, Rachel ;
Natan, Amir ;
Addadi, Lia ;
Weiner, Steve ;
Refson, Keith ;
Kronik, Leeor .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (1-2) :291-294
[9]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561
[10]   Modelling IR-spectra of single-phase polycrystalline materials with random orientation -: a unified approach [J].
Mayerhöfer, TG .
VIBRATIONAL SPECTROSCOPY, 2004, 35 (1-2) :67-76