سامانه پشتیبانی خدمات اطلاعات

  اخبار و اعلانات

 آمار

تعداد نشریات161
تعداد شماره‌ها6,466
تعداد مقالات69,886
تعداد مشاهده مقاله122,400,781
تعداد دریافت فایل اصل مقاله95,649,464
Mobedpour, Bahareh, Roumina, Reza, Rajabdoust, Sina. (1396). Atomic Insights into the Melting Behavior of Metallic Nano-catalysts. , 50(2), 81-89. doi: 10.22059/jufgnsm.2017.02.01
Bahareh Mobedpour; Reza Roumina; Sina Rajabdoust. "Atomic Insights into the Melting Behavior of Metallic Nano-catalysts". , 50, 2, 1396, 81-89. doi: 10.22059/jufgnsm.2017.02.01
Mobedpour, Bahareh, Roumina, Reza, Rajabdoust, Sina. (1396). 'Atomic Insights into the Melting Behavior of Metallic Nano-catalysts', , 50(2), pp. 81-89. doi: 10.22059/jufgnsm.2017.02.01
Mobedpour, Bahareh, Roumina, Reza, Rajabdoust, Sina. Atomic Insights into the Melting Behavior of Metallic Nano-catalysts. , 1396; 50(2): 81-89. doi: 10.22059/jufgnsm.2017.02.01

Atomic Insights into the Melting Behavior of Metallic Nano-catalysts

Journal of Ultrafine Grained and Nanostructured Materials
مقاله 1، دوره 50، شماره 2، اسفند 2017، صفحه 81-89    اصل مقاله (1.41 M)
نوع مقاله: Research Paper
شناسه دیجیتال (DOI): 10.22059/jufgnsm.2017.02.01
نویسندگان
Bahareh Mobedpour؛ Reza Roumina* ؛ Sina Rajabdoust
School of Metallurgical and Materials Engineering, College of Engineering, University of Tehran, Tehran, Iran
چکیده
In the present study, molecular dynamics simulations have been utilized to provide fundamental understanding of melting behavior of pure Pd and Pt nanoparticles with the size of 10 nm in diameter, both free and graphene-supported during continuous heating. The embedded atom method is employed to model the metal-metal interactions, whereas a Lennard-Jones potential is applied to describe the metal-carbon interactions. In addition, interactions between carbon atoms are defined by the adaptive intermolecular reactive bond order potential. Heating curves calculated between 298 K-2000 K are used to determine solid-liquid transitions. Based on simulation results, three approaches are used to investigate the thermal behavior of Pd and Pt nanoparticles. These include potential energy variation, the percentage of FCC atoms as a function of temperature and the mean square displacement method. Melting temperature of nanoparticles is found to decrease when the particles are supported by the graphene substrate. The decrease in melting temperature of particles is ascribed to the interaction of carbon atoms with nanoparticles. Structural changes during melting of nanoparticles are also detected through the common neighbor analysis and the mean square displacement method. The analyses of crystal structure shows that the supported nanoparticles melt from surface. In addition, a sharp increase in the mean square displacement of supported nanoparticles is observed after melting which is suggested to be responsible for the reduction of melting point of nanoparticles.
کلیدواژه‌ها
Molecular Dynamics؛ Platinum Nanoparticles؛ Palladium Nanoparticles؛ graphene
مراجع
1. Garcia MA. Surface plasmons in metallic nanoparticles: fundamentals and applications. Journal of Physics D: Applied Physics. 2011;44(28):283001.

2. Warrier P, Teja A. Effect of particle size on the thermal conductivity of nanofluids containing metallic nanoparticles. Nanoscale Research Letters. 2011;6(1):247.

3. Leppard G., Mavrocordatos D., Perret D. Electron-optical characterization of nano-and microparticles in raw and treated waters: an overview. Journal of Water Science and Technology. 2004;50(12):1-8.

4. Govorov AO, Richardson HH. Generating heat with metal nanoparticles. Nano Today. 2007;2(1):30-8.

5. Lattuada M, Hatton TA. Synthesis, properties and applications of Janus nanoparticles. Nano Today. 2011;6(3):286-308.

6. Thompson DT. Using gold nanoparticles for catalysis. Nano Today. 2007;2(4):40-3.

7. Cuenya BR. Synthesis and catalytic properties of metal nanoparticles: Size, shape, support, composition, and oxidation state effects. Thin Solid Films. 2010;518(12):3127-50.

8. Joo SH, Park JY, Tsung C-K, Yamada Y, Yang P, Somorjai GA. Thermally stable Pt/mesoporous silica core–shell nanocatalysts for high-temperature reactions. Nature Materials. 2008;8(2):126-31.

9. Campelo JM, Luna D, Luque R, Marinas JM, Romero AA. Sustainable Preparation of Supported Metal Nanoparticles and Their Applications in Catalysis. ChemSusChem. 2009;2(1):18-45.

10. Mozaffari S, Li W, Thompson C, Ivanov S, Seifert S, Lee B, et al. Colloidal nanoparticle size control: experimental and kinetic modeling investigation of the ligand–metal binding role in controlling the nucleation and growth kinetics. Nanoscale. 2017;9(36):13772-85.

11. Jin L, Liu B, Duay S, He J. Engineering Surface Ligands of Noble Metal Nanocatalysts in Tuning the Product Selectivity. Catalysts. 2017;7(2):44.

12. Chen H, Li Y, Zhang F, Zhang G, Fan X. Graphene supported Au-Pd bimetallic nanoparticles with core-shell structures and superior peroxidase-like activities. Journal of Materials Chemistry. 2011;21(44):17658.

13. Stoller MD, Park S, Zhu Y, An J, Ruoff RS. Graphene-Based Ultracapacitors. Nano Letters. 2008;8(10):3498-502.

14. Lee C, Wei X, Kysar JW, Hone J. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene. Science. 2008;321(5887):385-8.

15. Castro Neto AH, Guinea F, Peres NMR, Novoselov KS, Geim AK. The electronic properties of graphene. Reviews of Modern Physics. 2009;81(1):109-62.

16. Baletto F, Ferrando R. Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects. Reviews of Modern Physics. 2005;77(1):371-423.

17. Ping S-P, Balbuena PB. Platinum nanoclusters on graphite substrates: a molecular dynamics study. Molecular Physics. 2002;100(13):2165-74.

18. Huang S-P, Mainardi DS, Balbuena PB. Structure and dynamics of graphite-supported bimetallic nanoclusters. Surface Science. 2003;545(3):163-79.

19. Morrow BH, Striolo A. Morphology and Diffusion Mechanism of Platinum Nanoparticles on Carbon Nanotube Bundles†. The Journal of Physical Chemistry C. 2007;111(48):17905-13.

20. Plimpton S. Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics. 1995;117(1):1-19.

21. Foiles SM, Baskes MI, Daw MS. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B. 1986;33(12):7983-91.

22. Stuart SJ, Tutein AB, Harrison JA. A reactive potential for hydrocarbons with intermolecular interactions. The Journal of Chemical Physics. 2000;112(14):6472-86.

23. Sankaranarayanan SKRS, Bhethanabotla VR, Joseph B. Molecular dynamics simulations of the structural and dynamic properties of graphite-supported bimetallic transition metal clusters. Physical Review B. 2005;72(19).

24. Sato S, Chen D-R, Pui DYH. Molecular Dynamics Study of Nanoparticle Collision with a Surface – Implication to Nanoparticle Filtration. Aerosol and Air Quality Research. 2007;7(3):278-303.

25. Verlet L. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules. Physical Review. 1967;159(1):98-103.

26. Roduner E. Size matters: why nanomaterials are different. Chemical Society Reviews. 2006;35(7):583.

27. Gupta SK, Talati M, Jha PK. Shape and Size Dependent Melting Point Temperature of Nanoparticles. Materials Science Forum. 2008;570:132-7.

28. Verga LG, Aarons J, Sarwar M, Thompsett D, Russell AE, Skylaris CK. Effect of graphene support on large Pt nanoparticles. Phys Chem Chem Phys. 2016;18(48):32713-22.

29. Honeycutt JD, Andersen HC. Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. The Journal of Physical Chemistry. 1987;91(19):4950-63.

30. Kaz DM, McGorty R, Mani M, Brenner MP, Manoharan VN. Physical ageing of the contact line on colloidal particles at liquid interfaces. Nature Materials. 2011;11(2):138-42.

31. Yang XF, Xi XM. Formation of pits on ceramic surfaces coated with gold. Journal of Materials Research. 1994;9(10):2484-6.

32. Karakouz T, Maoz BM, Lando G, Vaskevich A, Rubinstein I. Stabilization of Gold Nanoparticle Films on Glass by Thermal Embedding. ACS Applied Materials & Interfaces. 2011;3(4):978-87.

33. Huang R, Wen Y-H, Zhu Z-Z, Sun S-G. Two-Stage Melting in Core–Shell Nanoparticles: An Atomic-Scale Perspective. The Journal of Physical Chemistry C. 2012;116(21):11837-41.

34. Vitos L, Ruban AV, Skriver HL, Kollár J. The surface energy of metals. Surface Science. 1998;411(1-2):186-202.

 

آمار
تعداد مشاهده مقاله: 1,139
تعداد دریافت فایل اصل مقاله: 876


سامانه مدیریت نشریات علمی. قدرت گرفته از سیناوب