The effect of the averaged structural and energetic features on the cohesive energy of nanocrystals

Journal of Nanoparticle Research

Volumn 12, Issue 3, 2010, Pages 759-776

  Safaei, Ali ^a,b  

^a Institute of Nano Parthava   (Iran)

^b Zeus Engineering and Technical Company   (Iran)

Author keywords

Average coordination number; Clusters; Cohesive energy; Diffusion; Modeling and simulation; Nanocrystals

Indexed keywords

AL-NANOPARTICLES; AVERAGE COORDINATION NUMBER; CLUSTERS; COHESIVE ENERGIES; COPPER NANOCLUSTERS; CORE DIAMETERS; CORE SHELL STRUCTURE; DIFFUSION COEFFICIENTS; ENERGETIC EFFECT; ENERGETIC PROPERTIES; EXPERIMENTAL VALUES; GEOMETRICAL SHAPES; MOLECULAR DYNAMIC SIMULATIONS; NEW PARAMETERS; SHELL THICKNESS; SIZE DEPENDENCY; THERMAL STABILITY;

COMPUTER SIMULATION; DIFFUSION; GOLD; MOLECULAR DYNAMICS; NANOCLUSTERS; NANOCRYSTALS; NANOPARTICLES; THERMODYNAMIC STABILITY;

SILVER;

ALUMINUM; COPPER; CRYSTALLIN; NANOCRYSTAL; NANOPARTICLE;

ANALYTICAL PARAMETERS; ARTICLE; BIOENERGY; DIFFUSION COEFFICIENT; ENERGY; GEOMETRY; MOLECULAR DYNAMICS; PARTICLE SIZE; PREDICTION; PRIORITY JOURNAL; SURFACE TO VOLUME ENERGY CONTRIBUTION RATIO; THERMOSTABILITY;

EID: 77955087625     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-010-9853-1     Document Type: Article

References (30)

1. Attarian Shandiz M (2008) Effective coordination number model for the size dependency of physical properties of nanocrystals. J Phys Condens Matter 20:325237-325245. doi:10.1088/0953-8984/20/32/325237
2. Attarian Shandiz M, Safaei A, Sanjabi S, Barber ZH (2008) Modeling the cohesive energy and melting point of nanoparticles by their average coordination number. Solid State Commun 145:432-437. doi:10.1016/j.ssc.2007.12.021
3. Buffat P, Borel J-P (1976) Size effect on the melting temperature of gold particles. Phys Rev A 13:2287-2298. doi: 10.1103/PhysRevA.13.2287
4. Chacko S, Kanhere DG, Blundell SA (2005) First principles calculations of melting temperature for free Na clusters. Phys Rev B 71:155407-155412. doi:10.1103/PhysRevB.71.155407 (Pubitemid 41749612)
5. Daff TD, Saadoune I, Lisiecki I, de Leeuw NH (2009) Computer simulations of the effect of atomic structure and coordination on the stabilities and melting behaviour of copper surfaces and nano-particles. Surf Sci 603:445-454. doi:10.1016/j.susc.2008.11.031
6. Delogu F (2005) Structural and energetic properties of unsupported Cu nanoparticles from room temperature to the melting point: molecular dynamics simulations. Phys Rev B 72:205418-205426. doi:10.1103/PhysRevB.72. 205418
7. DiCenzo SB, Berry SD, Hartford EH (1988) Photoelectron spectroscopy of single-size Au clusters collected on a substrate. Phys Rev B 38:8465-8468. doi:10.1103/Phys RevB.38.8465
8. Dick K, Dhanasekaran T, Zhang Z, Meisel D (2002) Sizedependent melting of silica-encapsulated gold nanoparticles. J Am Chem Soc 124:2312-2317. doi:10.1021/ja01 7281a
9. Hanszen K-J (1960) Theoretische untersuchungen uber den schmelzpunkt kleiner kugelchen-ein beitrag zurthermodynamic der grenzflachen. Z Phys 157:523-553
10. Hodak JH, Henglein A, Giersig M, Hartland GV (2000) Laserinduced inter-diffusion in AuAg core-shell nanoparticles. J Phys Chem B 104:11708-11718
11. Jiang Q, Zhang Z, Wang YW (2000) Thermal stability of low dimensional crystals. Mater Sci Eng A 286:139-143. doi: 10.1016/S0921-5093(00)00718-8
12. Jiang Q, Zhang S, Zhao M (2003) Size-dependent melting point of noble metals. Mater Chem Phys 82:225-227. doi: 10.1016/S0254-0584(03)00201-3
13. Lai SL, Carlsson JRA, Allen LH (1998) Melting point depression of Al clusters generated during the early stages of film growth: nanocalorimetry measurements. Appl Phys Lett 72:1098-1100. doi:10.1063/1.120946 (Pubitemid 128677203)
14. Lide DR (ed) (2005) CRC Handbook of chemistry and physics. Internet Version 2005. Thermal and physical properties of pure metals. CRC Press, Boca Raton, pp 12-219-12-220
15. Lopez N, Janssens TVW, Clausen BS, Xu Y, Mavrikakis M, Bligaard T, Nørskov JK (2004) On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation. J Catal 223:232-235. doi:10.1016/j.jcat.2004.01.001
16. Mansfield M, Needs RJ (1991) Surface energy and stress of lead (111) and (110) surfaces. Phys Rev B 43:8829-8833. doi:10.1103/PhysRevB.43.8829
17. Mirjalili M, Vahdati-Khaki J (2008) Prediction of nanoparticles' size-dependent melting temperature using mean coordination number concept. J Phys Chem Solids 69:2116-2123. doi:10.1016/j.jpcs.2008.03.014
18. Montejano-Carrizales JM, Aguilera-Granja F, Moran-Lopez JL (1997) Direct enumeration of the geometrical characteristics of clusters. Nanostruct Mater 8:269-287. doi: 10.1016/S0965-9773(97)00168-2
19. Nanda KK, Sahu SN, Behera SN (2002) Liquid-drop model for the size-dependent melting of low-dimensional systems. Phys Rev A 66:013208-013215. doi:10.1103/PhysRevA.66.013208
20. Needs RJ, Mansfield M (1989) Calculations of the surface stress tensor and surface energy of the (111) surfaces of iridium, platinum and gold. J Phys Condens Matter 1:7555-7563. doi:10.1088/0953-8984/1/41/006
21. Pawlow P (1909) Ü ber die abhängigkeit des schmelzpunktes von der oberflächenenergie eines festen körpers. Z Phys Chem 65:545-548
22. Rao CNR, Kulkarni GU, Thomas PJ, Edwards PP (2002) Sizedependent chemistry: properties of nanoparticles. Chem Eur J 8:28-35. doi:10.1002/1521- 3765(20020104)8:1\28: AID-CHEM28[3.0.CO;2-B
23. Safaei A, Attarian Shandiz M, Sanjabi S, Barber ZH (2007) Modelling the size effect on the melting temperature of nanoparticles, nanowires and nanofilms. J Phys Condens Matter 19:216216-216224. doi:10.1088/0953-8984/19/21/ 216216 (Pubitemid 46774936)
24. Safaei A, Attarian Shandiz M, Sanjabi S, Barber ZH (2008) Modeling the melting temperature of nanoparticles by an analytical approach. J Phys Chem C 112:99-105. doi: 10.1021/jp0744681 (Pubitemid 351160452)
25. Salomons E, Griessen R, de Groot DG, Magerl A (1988) Surface tension and subsurface sites of metallic nanocrystals determined from H-absorption. Europhys Lett 5:449-454. doi:10.1088/0305-4608/16/12/009
26. Solliard C, Flueli M (1985) Surface stress and size effect on the lattice parameter in small particles of gold and platinum. Surf Sci 156:487-494. doi:10.1016/0039-6028(85)90610-7
27. Sun J, Simon SL (2007) The melting behavior of aluminum nanoparticles. Thermochim Acta 463:32-40. doi: 10.1016/j.tca.2007.07.007 (Pubitemid 47418113)
28. Wang L, Zhang Y, Bian X, Chen Y (2003) Melting of Cu nanoclusters by molecular dynamics simulation. Phys Lett A 310:197-202. doi:10.1016/S0375- 9601(03)00263-9
29. Wautelet M (1998) On the shape dependence of the melting temperature of small particles. Phys Lett A 246:341-342. doi:10.1016/S0375-9601(98)00538-6
30. Yang CC, Li S (2007) Investigation of cohesive energy effects on size-dependent physical and chemical properties of nanocrystals. Phys Rev B 75:165413-165417. doi: 10.1103/PhysRevB.75.165413 (and references therein)