Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid

作者: Dmitri S. Kilin , Oleg V. Prezhdo , Younan Xia

DOI: 10.1016/J.CPLETT.2008.04.046

关键词: Ab initioCrystal growthAb initio quantum chemistry methodsCrystallographySilver nanoparticleExperimental controlHydrogen atomPreferential bindingCitric acidChemistry

摘要: … between small Au clusters and the rutile TiO 2 surface [27]. … a hydroxy group and three carboxylic acid groups. A … of the Ag slab we found that the binding energy for the (1 1 1) surface …

参考文章(53)
Steeve Chrétien, Mark S. Gordon, Horia Metiu, Density Functional Study of the Adsorption of Propene on Silver Clusters, Agqm (m=1–5; q=0, +1) Journal of Chemical Physics. ,vol. 121, pp. 9925- 9930 ,(2004) , 10.1063/1.1809600
Yun Wang, Wenning Wang, Kang-Nian Fan, Jingfa Deng, Structural and electronic properties of silver surfaces: ab initio pseudopotential density functional study Surface Science. ,vol. 490, pp. 125- 132 ,(2001) , 10.1016/S0039-6028(01)01320-6
Steeve Chrétien, Mark S. Gordon, Horia Metiu, Binding of propene on small gold clusters and on Au(111): simple rules for binding sites and relative binding energies. Journal of Chemical Physics. ,vol. 121, pp. 3756- 3766 ,(2004) , 10.1063/1.1769366
G. C. Schatz, Using theory and computation to model nanoscale properties Proceedings of the National Academy of Sciences of the United States of America. ,vol. 104, pp. 6885- 6892 ,(2007) , 10.1073/PNAS.0702187104
W. S. Sim, P. Gardner, D. A. King, Multiple bonding configurations of adsorbed formate on Ag{111} The Journal of Physical Chemistry. ,vol. 100, pp. 12509- 12516 ,(1996) , 10.1021/JP9600726
Yugang Sun, Younan Xia, Shape-Controlled Synthesis of Gold and Silver Nanoparticles Science. ,vol. 298, pp. 2176- 2179 ,(2002) , 10.1126/SCIENCE.1077229
S. J. L. Billinge, I. Levin, The problem with determining atomic structure at the nanoscale. Science. ,vol. 316, pp. 561- 565 ,(2007) , 10.1126/SCIENCE.1135080