Geometry, chemical reactivity and Raman spectra of gold clusters
作者： Ngangbam Bedamani Singh , Utpal Sarkar
DOI: 10.1080/23312009.2015.1076713
关键词:
摘要: Structures, stability, and chemical reactivity of Au n (n = 2-10) clusters are investigated using density functional theory (DFT). We have studied the reactivity parameters of the clusters in …
core.ac.uk
cogentoa.com参考文章(77)
H Häkkinen, RN Barnett, U Landman, None, Electronic Structure of PassivatedAu38(SCH3)24Nanocrystal Physical Review Letters. ,vol. 82, pp. 3264- 3267 ,(1999) , 10.1103/PHYSREVLETT.82.3264
Robert G. Parr, Density-functional theory of atoms and molecules ,(1989)
mes E. Huheey, Inorganic Chemistry: Principles of Structure and Reactivity ,(1972)
Nicolás Agraıt, Alfredo Levy Yeyati, Jan M Van Ruitenbeek, Quantum properties of atomic-sized conductors Physics Reports. ,vol. 377, pp. 81- 279 ,(2003) , 10.1016/S0370-1573(02)00633-6
A. Nijamudheen, Ayan Datta, Odd–even oscillations in structural and optical properties of gold clusters Journal of Molecular Structure-theochem. ,vol. 945, pp. 93- 96 ,(2010) , 10.1016/J.THEOCHEM.2010.01.023
Ngangbam Bedamani Singh, Utpal Sarkar, A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters Molecular Simulation. ,vol. 40, pp. 1255- 1264 ,(2014) , 10.1080/08927022.2013.861903
Pieterjan Claes, Vu Thi Ngan, Marko Haertelt, Jonathan T. Lyon, André Fielicke, Minh Tho Nguyen, Peter Lievens, Ewald Janssens, The structures of neutral transition metal doped silicon clusters, SinX (n=6-9; X = V, Mn) Journal of Chemical Physics. ,vol. 138, pp. 194301- ,(2013) , 10.1063/1.4803871
Hannu Häkkinen, Bokwon Yoon, Uzi Landman, Xi Li, Hua-Jin Zhai, Lai-Sheng Wang, On the Electronic and Atomic Structures of Small AuN- (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study Journal of Physical Chemistry A. ,vol. 107, pp. 6168- 6175 ,(2003) , 10.1021/JP035437I
P. K. Chattaraj, S. Sengupta, Popular Electronic Structure Principles in a Dynamical Context The Journal of Physical Chemistry. ,vol. 100, pp. 16126- 16130 ,(1996) , 10.1021/JP961096F
Ying Chen, Paul Crawford, P. Hu, Recent Advances in Understanding CO Oxidation on Gold Nanoparticles Using Density Functional Theory Catalysis Letters. ,vol. 119, pp. 21- 28 ,(2007) , 10.1007/S10562-007-9200-Z