Design and catalytic performance of Cu/γ-Al2O3 for electrocatalytic methanol oxidation reaction by using density functional theory and molecular dynamics
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OpenAlex topics: Electrocatalysts for Energy Conversion · Catalytic Processes in Materials Science · Nanomaterials for catalytic reactions
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References (72)
Show source-provided references
1. Direct quinone fuel cells10.1021/jacs.2c12813 ↗
2. What are batteries, fuel cells, and supercapacitors?10.1021/cr020730k ↗
3. Shape-controlled synthesis of colloidal platinum nanoparticles10.1126/science.272.5270.1924 ↗
4. Facile fabrication of novel PdRu nanoflowers as highly active catalysts for the electrooxidation of methanol10.1016/j.jcis.2017.05.067 ↗
5. Engineering support and distribution of palladium and tin on MXene with modulation of the d-band center for CO-resilient methanol oxidation10.1002/anie.202209693 ↗
6. Shape-control of Pt-Ru nanocrystals: Tuning surface structure for enhanced electrocatalytic methanol oxidation10.1021/jacs.7b12353 ↗
7. Design of Cu nanoaggregates composed of ultra-small Cu nanoparticles for Cu-Cu thermocompression bonding10.1016/j.jallcom.2018.09.115 ↗
8. Adsorption of CO, intermediately formed in electrochemical reduction of CO2, at a copper electrode10.1039/ft9918700125 ↗
9. Enhanced electrochemical oxidation of methanol on copper electrodes modified by electrocorrosion and electrodeposition10.1016/j.matchemphys.2013.10.039 ↗
10. Fabrication of three-dimensional copper nanodomes as anode materials for direct methanol fuel cells10.1016/j.ijhydene.2019.02.137 ↗
11. Reduction kinetics and carbon deposit for Cu-doped fe-based oxygen carriers: Role of Cu10.1016/j.ces.2021.117406 ↗
12. Boosting oxygen reduction with coexistence of single-atomic Fe and Cu Sites decorated nitrogen-doped porous carbon
13. Electrocatalytic carbon dioxide reduction to ethylene over copper-based catalytic systems10.1002/asia.202200893 ↗
14. Effect of carbon support on the catalytic activity of copper-based catalyst in CO2 electroreduction10.1016/j.seppur.2020.117083 ↗
15. Cu nanowires with clean surfaces: Synthesis and enhanced electrocatalytic activity10.1021/acsami.6b09717 ↗
16. Synergistic Cu@CoOx core-cage structure on carbon layers as highly active and durable electrocatalysts for methanol oxidation10.1016/j.apcatb.2018.12.017 ↗
17. A highly stable copper-based catalyst for clarifying the catalytic roles of Cu0 and Cu+ species in methanol dehydrogenation10.1002/anie.201710605 ↗
18. Effect of γ-Al2O3 characteristics on hydrogen production of Cu/γ-Al2O3 catalyst for steam reforming of dimethyl ether10.1016/j.ces.2020.115535 ↗
19. Nano- and micro-powder of zirconia and ceria-supported cobalt catalysts for the steam reforming of bio-ethanol10.1016/j.apsusc.2009.12.137 ↗
20. A Thermogravimetric study of the partial oxidation of methanol for hydrogen production over a Cu/ZnO/Al2O3 catalyst10.1016/j.apcatb.2008.06.016 ↗
21. influence of preparation method on performance of Cu/Zn-based catalysts for low-temperature steam reforming and oxidative steam reforming of methanol for H2 production for fuel cells10.1016/S0920-5861(02)00235-3 ↗
22. Shape-selective fabrication of Cu nanostructures: Contrastive study of catalytic ability for hydrolytically releasing H2 from ammonia borane10.1016/j.renene.2017.10.114 ↗
23. Structure sensitivity for forward and reverse water-gas shift reactions on copper surfaces: A DFT study10.1021/jz101150w ↗
24. Cu nanostructures of various shapes and sizes as superior catalysts for nitro-aromatic reduction and Co-catalyst for Cu/TiO2 photocatalysis10.1016/j.apcata.2014.10.035 ↗
25. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
26. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
27. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
28. Détermination, par diffraction différentielle de neutrons, des faces cristallines exposées par des supports de catalyseurs en poudre10.1051/jcp/1981780347 ↗
29. Effects of crystallinity and morphology on the surface properties of alumina10.1016/S0166-9834(00)82140-5 ↗
30. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
31. Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool
32. VMD: Visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
33. The nose-hoover thermostat10.1063/1.449071 ↗
34. Atomic-level stress and induced growth of wurtzite zinc oxide using molecular dynamics simulation10.1088/0022-3727/44/50/505301 ↗
35. Molecular dynamics simulation of Ni nanoparticles sintering process in Ni/YSZ multi-nanoparticle system10.1021/jp310920d ↗
36. Phase stability of Pt nanoclusters and the effect of a (0001) graphite surface through molecular dynamics simulation10.1016/j.susc.2008.02.004 ↗
37. Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals10.1103/PhysRevB.29.6443 ↗
38. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys10.1103/PhysRevB.33.7983 ↗
39. The classical equation of state of gaseous helium, neon and argon
40. Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu10.1080/14786430802206482 ↗
41. The morse curve as a non-bonded potential function10.1016/0009-2614(78)80033-5 ↗
42. Preference-inspired coevolutionary algorithms for many-objective optimization10.1109/TEVC.2012.2204264 ↗
43. Cu3-cluster-doped monolayer Mo2CO2 (MXene) as an electron reservoir for catalyzing a CO oxidation reaction10.1021/acsami.8b12318 ↗
44. Modulating electronic structures of iron clusters through orbital rehybridization by adjacent single copper sites for efficient oxygen reduction10.1002/anie.202308344 ↗
45. Cu4@C2N for effective electrochemical CO2 reduction and intermediates dependent adsorption behaviours: A computational study10.1016/j.apsusc.2023.157126 ↗
46. Carbon dioxide conversion to methanol over size-selected Cu4 clusters at low pressures10.1021/jacs.5b03668 ↗
47. Influence of the hydroxylation of γ-Al2O3 surfaces on the stability and growth of Cu for Cu/γ-Al2O3 catalyst: A DFT study10.1016/j.apsusc.2013.01.139 ↗
48. On the role of hydroxyl groups on Cu/Al2O3 in CO2 hydrogenation10.1021/acscatal.2c03591 ↗
49. High-Field NMR, Reactivity, and DFT modeling reveal the γ-Al2O3 surface hydroxyl network10.1002/anie.202207316 ↗
50. Resolving the puzzle of single-atom silver dispersion on nanosized γ-Al2O3 surface for high catalytic performance
51. Adsorption and protonation of CO2 on partially hydroxylated γ-Al2O3 surfaces: A density functional theory study10.1021/la802295x ↗
52. Pd-modified tungsten carbide for methanol electro-oxidation: From surface science studies to electrochemical evaluation10.1021/cs200620x ↗
53. Insights into the reaction mechanisms of methanol decomposition, methanol oxidation and steam reforming of methanol on Cu(111): A density functional theory study10.1016/j.ijhydene.2013.11.048 ↗
54. Mechanistic insight into methanol electro-oxidation catalyzed by PtCu alloy10.1016/S1872-2067(21)63886-X ↗
55. Theoretical study of methanol oxidation on the PtAu(111) bimetallic surface: CO pathway vs Non-CO pathway10.1021/jp210304z ↗
56. Electrocatalytic activity of Pt nanoparticles on karst-rock shaped Ni thin films toward methanol and ethanol oxidation in alkaline solutions10.1149/1.3484656 ↗
57. Effect of surface hydroxyls on CO2 hydrogenation over Cu/γ-Al2O3 catalyst: A theoretical study10.1021/jp206065y ↗
58. Origin of the overpotential for oxygen reduction at a fuel-cell cathode10.1021/jp047349j ↗
59. A comprehensive and critical review on recent progress in anode catalyst for methanol oxidation reaction10.1080/01614940.2020.1802811 ↗
60. Platinum supported on early transition metal carbides: Efficient electrocatalysts for methanol electro-oxidation reaction in alkaline electrolyte10.1016/j.cej.2020.126670 ↗
61. High-performance Mo2C/MWCNT electrocatalyst for MOR: Comparison with MoO2/MWCNT and MoO3/MWCNT10.1016/j.ijhydene.2023.05.009 ↗
62. Structure sensitivity of methanol electrooxidation on transition metals10.1021/ja904010u ↗
63. Hierarchical N-doped carbon nanofiber-loaded NiCo alloy nanocrystals with enhanced methanol electrooxidation for alkaline direct methanol fuel cells10.1016/j.jcis.2023.05.030 ↗
64. Low-temperature synthesis of nitrogen doped carbon nanotubes as promising catalyst support for methanol oxidation10.1016/j.jechem.2018.04.003 ↗
65. Methanol dissociation and oxidation on single Fe atom supported on graphitic carbon nitride10.1002/aoc.4930 ↗
66. Synthesis of highly active and dual-functional electrocatalysts for methanol oxidation and oxygen reduction reactions10.1016/j.apsusc.2016.07.097 ↗
67. Platinum-copper bimetallic nanodendritic electrocatalyst on a TiO2-based support for methanol oxidation in alkaline fuel cells10.1021/acsanm.1c00506 ↗
68. Effects of γ-Al2O3 support on the morphology and electronic structure of Pt nanoparticles
69. Computational aspects of many-body potentials10.1557/mrs.2012.96 ↗
70. Surface studies of supported model catalysts10.1016/S0167-5729(98)00002-8 ↗
71. Ultrathin metal films and particles on oxide surfaces: Structural, electronic and chemisorptive properties10.1016/S0167-5729(96)00011-8 ↗
72. The surface science of titanium dioxide10.1016/S0167-5729(02)00100-0 ↗