DataVXJournal of Materials SciencePaper
journal article·2022-04

Element segregation and thermal stability of Ni–Pd nanoparticles

Yishuang Xu, Gang Wang, Ping Qian, Yanjing Su

Journal of Materials Science· Volume 57· Issue 14
Publisher page
Bibliographic record

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

Nanomaterials

OpenAlex topics: nanoparticles nucleation surface interactions · Catalytic Processes in Materials Science · Advanced Thermodynamics and Statistical Mechanics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (52)

Show source-provided references
1. Yentekakis IV, Panagiotopoulou P, Artemakis G (2021) A review of recent efforts to promote dry reforming of methane (DRM) to syngas production via bimetallic catalyst formulations. Appl Catal B Environ 296:120210. https://doi.org/10.1016/j.apcatb.2021.12021010.1016/j.apcatb.2021.120210 ↗
2. Abdulrasheed A, Jalil AA, Gambo Y, Ibrahim M, Hambali HU, Shahul Hamid MY (2019) A review on catalyst development for dry reforming of methane to syngas: recent advances. Renew Sust Energy Rev 108:175–193. https://doi.org/10.1016/j.rser.2019.03.05410.1016/j.rser.2019.03.054 ↗
3. Bian Z, Das S, Wai MH, Hongmanorom P, Kawi S (2017) A review on bimetallic nickel-based catalysts for CO2 reforming of methane. ChemPhysChem 18:3117–3134. https://doi.org/10.1002/cphc.20170052910.1002/cphc.201700529 ↗
4. Kathiraser Y, Oemar U, Saw ET, Li Z, Kawi S (2015) Kinetic and mechanistic aspects for CO2 reforming of methane over Ni based catalysts. Chem Eng J 278:62–78. https://doi.org/10.1016/j.cej.2014.11.14310.1016/j.cej.2014.11.143 ↗
5. Wang Z, Cao XM, Zhu J, Hu P (2014) Activity and coke formation of nickel and nickel carbide in dry reforming: a deactivation scheme from density functional theory. J Catal 311:469–480. https://doi.org/10.1016/j.jcat.2013.12.01510.1016/j.jcat.2013.12.015 ↗
6. Pakhare D, Spivey J (2014) A review of dry (CO2) reforming of methane over noble metal catalysts. Chem Soc Rev 43:7813–7837. https://doi.org/10.1039/c3cs60395d10.1039/c3cs60395d ↗
7. Barama S, Dupeyrat-Batiot C, Capron M, Bordes-Richard E, Bakhti-Mohammedi O (2009) Catalytic properties of Rh, Ni, Pd and Ce supported on Al-pillared montmorillonites in dry reforming of methane. Catal Today 141:385–392. https://doi.org/10.1016/j.cattod.2008.06.02510.1016/j.cattod.2008.06.025 ↗
8. Singha RK, Shukla A, Sandupatla A, Deo G, Bal R (2017) Synthesis and catalytic activity of a Pd doped Ni–MgO catalyst for dry reforming of methane. J Mater Chem A 5:15688–15699. https://doi.org/10.1039/C7TA04452F10.1039/C7TA04452F ↗
9. Steinhauer B, Kasireddy MR, Radnik J, Martin A (2009) Development of Ni–Pd bimetallic catalysts for the utilization of carbon dioxide and methane by dry reforming. Appl Catal A Gen 366:333–341. https://doi.org/10.1016/j.apcata.2009.07.02110.1016/j.apcata.2009.07.021 ↗
10. Ma Q, Sun J, Gao X, Zhang J, Zhao T, Yoneyama Y, Tsubaki N (2016) Ordered mesoporous alumina-supported bimetallic Pd–Ni catalysts for methane dry reforming reaction. Catal Sci Technol 6:6542–6550. https://doi.org/10.1039/C6CY00841K10.1039/C6CY00841K ↗
11. Pan C, Guo Z, Dai H, Ren R, Chu W (2020) Anti-sintering mesoporous Ni–Pd bimetallic catalysts for hydrogen production via dry reforming of methane. Int J Hydrog Energy 45:16133–16143. https://doi.org/10.1016/j.ijhydene.2020.04.06610.1016/j.ijhydene.2020.04.066 ↗
12. Dang C, Luo J, Yang W, Li H, Cai W (2021) Low-temperature catalytic dry reforming of methane over Pd promoted Ni–CaO–Ca12Al14O33 multifunctional catalyst. Ind Eng Chem Res 60:18361–18372. https://doi.org/10.1021/acs.iecr.1c0401010.1021/acs.iecr.1c04010 ↗
13. Cheng H, Feng S, Tao W, Lu X, Yao W, Li G, Zhou Z (2014) Effects of noble metal-doping on Ni/La2O3–ZrO2 catalysts for dry reforming of coke oven gas. Int J Hydrog Energy 39:12604–12612. https://doi.org/10.1016/j.ijhydene.2014.06.12010.1016/j.ijhydene.2014.06.120 ↗
14. Fan C, Zhu Y-A, Xu Y, Zhou Y, Zhou X-G, Chen D (2012) Origin of synergistic effect over Ni-based bimetallic surfaces: a density functional theory study. J Chem Phys 137:014703. https://doi.org/10.1063/1.473181110.1063/1.4731811 ↗
15. Shang Z, Li S, Li L, Liu G, Liang X (2017) Highly active and stable alumina supported nickel nanoparticle catalysts for dry reforming of methane. Appl Catal B Environ 201:302–309. https://doi.org/10.1016/j.apcatb.2016.08.01910.1016/j.apcatb.2016.08.019 ↗
16. Mishin Y, Mehl MJ, Papaconstantopoulos DA (2005) Phase stability in the Fe–Ni system: investigation by first-principles calculations and atomistic simulations. Acta Mater 53:4029–4041. https://doi.org/10.1016/j.actamat.2005.05.00110.1016/j.actamat.2005.05.001 ↗
17. Xia Y, Xiong Y, Lim B, Skrabalak SE (2009) Shape-controlled synthesis of metal nanocrystals: Simple chemistry meets complex physics? Angew Chem Int Edit 48:60–103. https://doi.org/10.1002/anie.20080224810.1002/anie.200802248 ↗
18. Li L, xin Ma H, dong Jian X, Qian P, jing Su Y (2020) Degradation of the transition metal@Pt core–shell nanoparticle catalyst: a DFT study. Phys Chem Chem Phys 22:9467–9476. https://doi.org/10.1039/D0CP00888E10.1039/D0CP00888E ↗
19. Metropolis N, Rosenbluth AW, Rosenbluth MN, Teller AH, Teller E (1953) Equation of state calculations by fast computing machines. J Chem Phys 21:1087–1092. https://doi.org/10.1063/1.169911410.1063/1.1699114 ↗
20. Wang G, Xu Y-S, Qian P, Su Y-J (2019) The effects of size and shape on the structural and thermal stability of platinum nanoparticles. Comput Mater Sci 169:109090. https://doi.org/10.1016/j.commatsci.2019.10909010.1016/j.commatsci.2019.109090 ↗
21. Mishin Y, Lozovoi AY (2006) Angular-dependent interatomic potential for tantalum. Acta Mater 54:5013–5026. https://doi.org/10.1016/j.actamat.2006.06.03410.1016/j.actamat.2006.06.034 ↗
22. Purja Pun GP, Darling KA, Kecskes LJ, Mishin Y (2015) Angular-dependent interatomic potential for the Cu–Ta system and its application to structural stability of nano-crystalline alloys. Acta Mater 100:377–391. https://doi.org/10.1016/j.actamat.2015.08.05210.1016/j.actamat.2015.08.052 ↗
23. Wang G, Xu Y, Qian P, Su Y (2021) ADP potential for the Au–Rh system and its application in element segregation of nanoparticles. Comput Mater Sci 186:110002. https://doi.org/10.1016/j.commatsci.2020.11000210.1016/j.commatsci.2020.110002 ↗
24. Baskes MI (1987) Application of the embedded-atom method to covalent materials: a semiempirical potential for silicon. Phys Rev Lett 59:2666–2669. https://doi.org/10.1103/PhysRevLett.59.266610.1103/PhysRevLett.59.2666 ↗
25. Simmons G, Wang H (1971) Single crystal elastic constants and calculated aggregate properties: a handbook, 2nd edn. MIT Press, Cambridge
26. Wang G, Xu Y, Qian P, Su Y (2020) Vacancy concentration of films and nanoparticles. Comput Mater Sci 173:109416. https://doi.org/10.1016/j.commatsci.2019.10941610.1016/j.commatsci.2019.109416 ↗
27. Rose JH, Smith JR, Guinea F, Ferrante J (1984) Universal features of the equation of state of metals. Phys Rev B 29:2963–2969. https://doi.org/10.1088/0953-8984/1/11/00210.1088/0953-8984/1/11/002 ↗
28. Predel F (2016) Phase equilibria, crystallographic and thermodynamic data of binary alloys, 1st edn. Springer, Berlin Heidelberg10.1007/978-3-642-24977-8 ↗
29. Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys Rev B 47:558–561. https://doi.org/10.1103/PhysRevB.47.55810.1103/PhysRevB.47.558 ↗
30. Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169–11186. https://doi.org/10.1103/physrevb.54.1116910.1103/physrevb.54.11169 ↗
31. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys Rev B 46:6671–6687. https://doi.org/10.1103/PhysRevB.46.667110.1103/PhysRevB.46.6671 ↗
32. Jeong G-U, Park CS, Do H-S, Park S-M, Lee B-J (2018) Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pd-M (M = Al Co, Cu, Fe, Mo, Ni, Ti) binary systems. Calphad 62:172–186. https://doi.org/10.1016/j.calphad.2018.06.00610.1016/j.calphad.2018.06.006 ↗
33. Samolyuk GD, Béland LK, Stocks GM, Stoller RE (2016) Electron–phonon coupling in Ni-based binary alloys with application to displacement cascade modeling. J Phys Condens Matter 28:175501. https://doi.org/10.1088/0953-8984/28/17/17550110.1088/0953-8984/28/17/175501 ↗
34. Kittel C (2005) Introduction to solid state physics, 8th edn. Wiley, New York
35. Dinsdale AT (1991) SGTE data for pure elements. Calphad 15:317–425. https://doi.org/10.1007/10655491_110.1007/10655491_1 ↗
36. Wycisk W, Feller-Kniepmeier M (1978) Quenching experiments in high purity Ni. J Nucl Mater 69–70:616–619. https://doi.org/10.1016/0022-3115(78)90293-310.1016/0022-3115(78)90293-3 ↗
37. Hirth JP, Lothe J (1982) Theory of dislocations, 2nd edn. Wiley, New York
38. Mezey L, Giber J (1982) The surface free energies of solid chemical elements: calculation from internal free enthalpies of atomization. Jpn J Appl Phys 21:1569–1571. https://doi.org/10.1143/jjap.21.156910.1143/jjap.21.1569 ↗
39. Foiles SM, Baskes MI, Daw MS (1986) Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Phys Rev B 33:7983–7991. https://doi.org/10.1103/PhysRevB.33.798310.1103/PhysRevB.33.7983 ↗
40. Henkelman G, Uberuaga BP, Jónsson H (2000) A climbing image nudged elastic band method for finding saddle points and minimum energy paths. J Chem Phys 113:9901–9904. https://doi.org/10.1063/1.132967210.1063/1.1329672 ↗
41. Morris JR, Song X (2002) The melting lines of model systems calculated from coexistence simulations. J Chem Phys 116:9352–9358. https://doi.org/10.1063/1.147458110.1063/1.1474581 ↗
42. Ferrando R, Jellinek J, Johnston RL (2008) Nanoalloys: from theory to applications of alloy clusters and nanoparticles. Chem Rev 108:845–910. https://doi.org/10.1021/cr040090g10.1021/cr040090g ↗
43. Zaleska-Medynska A, Marchelek M, Diak M, Grabowska E (2016) Noble metal-based bimetallic nanoparticles: the effect of the structure on the optical, catalytic and photocatalytic properties. Adv Colloid Interface Sci 229:80–107. https://doi.org/10.1016/j.cis.2015.12.00810.1016/j.cis.2015.12.008 ↗
44. Deng L, Liu X, Zhang X, Wang L, Li W, Song M, Tang J, Deng H, Xiao S, Hu W (2019) Intrinsic strain-induced segregation in multiply twinned Cu–Pt icosahedra. Phys Chem Chem Phys 21:4802–4809. https://doi.org/10.1039/C8CP06327C10.1039/C8CP06327C ↗
45. Xiao S, Hu W, Luo W, Wu Y, Li X, Deng H (2006) Size effect on alloying ability and phase stability of immiscible bimetallic nanoparticles. Eur Phys J B 54:479–484. https://doi.org/10.1140/epjb/e2007-00018-610.1140/epjb/e2007-00018-6 ↗
46. Deng L, Hu W, Deng H, Xiao S (2010) Surface segregation and structural features of bimetallic Au−Pt nanoparticles. J Phys Chem C 114:11026–11032. https://doi.org/10.1021/jp100194p10.1021/jp100194p ↗
47. Martinez De La Hoz JM, Callejas Tovar R, Balbuena PB (2009) Size effect on the stability of Cu–Ag nanoalloys. Mol Simul 35:785–794. https://doi.org/10.1080/0892702090274867310.1080/08927020902748673 ↗
48. Fischer F, Eich SM (2020) Analytic description of grain boundary segregation, tension, and formation energy in the copper–nickel system. Acta Mater 201:364–372. https://doi.org/10.1016/j.actamat.2020.09.03910.1016/j.actamat.2020.09.039 ↗
49. Orera A, Wang F, Ferreiro-Vila E, Serrano-Zabaleta S, Larrañaga A, Laguna-Bercero MA, Dickey EC, Rivadulla F, Muñoz MC, Larrea Á (2020) Interfacial stability and ionic conductivity enhanced by dopant segregation in eutectic ceramics: the role of Gd segregation in doped CeO2/CoO and CeO2/NiO interfaces. J Mater Chem A 8:2591–2601. https://doi.org/10.1039/C9TA12315F10.1039/C9TA12315F ↗
50. Guenther G, Guillon O (2014) Models of size-dependent nanoparticle melting tested on gold. J Mater Sci 49:7915–7932. https://doi.org/10.1007/s10853-014-8544-110.1007/s10853-014-8544-1 ↗
51. Zhu B, Creuze J, Mottet C, Legrand B, Guesmi H (2016) CO adsorption-induced surface segregation and formation of Pd chains on AuPd(100) alloy: density functional theory based Ising model and Monte Carlo simulations. J Phys Chem C 120:350–359. https://doi.org/10.1021/acs.jpcc.5b1015810.1021/acs.jpcc.5b10158 ↗
52. Tao F, Grass Michael E, Zhang Y, Butcher Derek R, Renzas James R, Liu Z, Chung Jen Y, Mun Bongjin S, Salmeron M, Somorjai Gabor A (2008) Reaction-driven restructuring of Rh-Pd and Pt-Pd core-shell nanoparticles. Science 322:932–934. https://doi.org/10.1126/science.116417010.1126/science.1164170 ↗