Understanding the influence of bending on OER activity in metal phthalocyanines: A first-principles study
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
OpenAlex topics: Electrocatalysts for Energy Conversion · Advanced battery technologies research · Electrochemical Analysis and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (58)
Show source-provided references
1. Progress in Developing Metal Oxide Nanomaterials for Photoelectrochemical Water Splitting10.1002/aenm.201700555 ↗
2. Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions10.1039/C4CS00470A ↗
3. Earth-abundant inorganic electrocatalysts and their nanostructures for energy conversion applications10.1039/C4EE01760A ↗
4. Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis10.1039/C4EE03869J ↗
5. IrO2 Coated on RuO2 as Efficient and Stable Electroactive Nanocatalysts for Electrochemical Water Splitting10.1021/acs.jpcc.5b11868 ↗
6. Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions10.1021/jz2016507 ↗
7. Ultrathin Laminar Ir Superstructure as Highly Efficient Oxygen Evolution Electrocatalyst in Broad pH Range10.1021/acs.nanolett.6b01554 ↗
8. A New Fuel Cell Cathode Catalyst10.1038/2011212a0 ↗
9. Hydrogen evolution reaction on glassy carbon electrode modified with titanyl phthalocyanines10.1016/j.ijhydene.2009.01.013 ↗
10. Iron (II) phthalocyanine/N-doped graphene: A highly efficient non-precious metal catalyst for oxygen reduction10.1016/j.ijhydene.2019.05.032 ↗
11. S. Aralekallu, V.A. Sajjan, M. Palanna, K. Prabhu C P, M. Hojamberdiev, L.K. Sannegowda, Ni foam-supported azo linkage cobalt phthalocyanine as an efficient electrocatalyst for oxygen evolution reaction, J. Power Sources. 449 (2020) 227516.10.1016/j.jpowsour.2019.227516 ↗
12. Iron polyphthalocyanine sheathed multiwalled carbon nanotubes: A high-performance electrocatalyst for oxygen reduction reaction10.1007/s12274-016-1046-5 ↗
13. Recent development on metal phthalocyanines based materials for energy conversion and storage applications10.1016/j.ccr.2020.213678 ↗
14. The synthesis and synergistic catalysis of iron phthalocyanine and its graphene-based axial complex for enhanced oxygen reduction10.1016/j.nanoen.2018.02.026 ↗
15. A review of nanocarbons in energy electrocatalysis: Multifunctional substrates and highly active sites10.1016/j.jechem.2017.08.008 ↗
16. Covalent Organic Framework with Highly Accessible Carbonyls and π-Cation Effect for Advanced Potassium-Ion Batteries10.1002/anie.202117661 ↗
17. Nanocarbon Hybrids: The Paradigm of Nanoscale Self-Ordering/Self-Assembling by Means of Charge Transfer/Doping Interactions10.1021/jz4001714 ↗
18. Twisted small organic molecules for high thermoelectric performance of single-walled carbon nanotubes/small organic molecule hybrids through mild charge transfer interactions10.1039/D1TC01519B ↗
19. Adhesion of Single-Walled Carbon Nanotube Thin Films with Different Materials10.1021/acs.jpclett.9b03552 ↗
20. Ultrathin Polyamide Nanofiltration Membrane Fabricated on Brush-Painted Single-Walled Carbon Nanotube Network Support for Ion Sieving10.1021/acsnano.8b09761 ↗
21. Phthalocyanine-Nanocarbon Ensembles: From Discrete Molecular and Supramolecular Systems to Hybrid Nanomaterials10.1021/ar5004384 ↗
22. A comparative study of iron phthalocyanine electrocatalysts supported on different nanocarbons for oxygen reduction reaction10.1016/j.carbon.2019.01.022 ↗
23. Electrocatalytic oxygen reduction reaction on iron phthalocyanine-modified carbide-derived carbon/carbon nanotube composite electrocatalysts10.1016/j.electacta.2019.135575 ↗
24. Pristine carbon nanotube/iron phthalocyanine hybrids with a well-defined nanostructure show excellent efficiency and durability for the oxygen reduction reaction10.1039/C6TA07882F ↗
25. Oxygen Evolution Reaction on Single-Walled Carbon Nanotubes Noncovalently Functionalized with Metal Phthalocyanines10.1002/celc.201901708 ↗
26. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
27. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
28. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
29. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation10.1103/PhysRevB.46.6671 ↗
30. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study10.1103/PhysRevB.57.1505 ↗
31. Tailoring the Nature of Magnetic Coupling of Fe-Porphyrin Molecules to Ferromagnetic Substrates10.1103/PhysRevLett.102.047202 ↗
32. Magnetism of Phthalocyanine-Based Organometallic Single Porous Sheet10.1021/ja204990j ↗
33. GGA+U modeling of structural, electronic, and magnetic properties of iron porphyrin-type molecules10.1016/j.chemphys.2007.10.030 ↗
34. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
35. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
36. Trends in the Exchange Current for Hydrogen Evolution10.1149/1.1856988 ↗
37. Oxidation and Photo-Oxidation of Water on TiO2 Surface10.1021/jp711929d ↗
38. Understanding the Influence of Cation Doping on the Surface Chemistry of NaTaO3 from First Principles10.1021/acscatal.9b03141 ↗
39. Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines10.1021/acs.jctc.6b00091 ↗
40. Transition metal phthalocyanines: Insight into the electronic structure from soft x-ray spectroscopy10.1063/1.4738754 ↗
41. Magnetism of Metal Phthalocyanines
42. Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis10.1021/ar300361m ↗
43. Enhanced electrochemical oxygen evolution reaction activity on natural single-atom catalysts transition metal phthalocyanines: the substrate effect, Catal
44. Characterizing the Chiral Index of a Single-Walled Carbon Nanotube10.1002/smll.201401567 ↗
45. Electronic and magnetic properties of CoPc and FePc molecules on graphene: the substrate, defect, and hydrogen adsorption effects10.1039/C8CP07091A ↗
46. Interaction of metal phthalocyanines with carbon zigzag and armchair nanotubes with different diameters10.1016/j.apsusc.2018.06.282 ↗
47. Noncovalent functionalization of pristine CVD single-walled carbon nanotubes with 3d metal(II) phthalocyanines by adsorption from the gas phase10.1016/j.apsusc.2017.12.122 ↗
48. Noncovalent interactions of free-base phthalocyanine with elongated fullerenes as carbon nanotube models10.1007/s11224-017-0955-6 ↗
49. Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study10.1103/PhysRevB.86.125417 ↗
50. Noncovalent bonding of 3d metal(II) phthalocyanines with single-walled carbon nanotubes: A combined DFT and XPS study10.1016/j.apsusc.2018.11.159 ↗
51. Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?10.1021/acscatal.1c04647 ↗
52. Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism10.1038/s41467-018-03795-8 ↗
53. Theoretical surface science and catalysis—calculations and concepts10.1016/S0360-0564(02)45013-4 ↗
54. Catalytic mechanism and design principle of coordinately unsaturated single metal atom-doped covalent triazine frameworks with high activity and selectivity for CO2 electroreduction10.1039/D0TA10875H ↗
55. The use of copper and cobalt phthalocyanines as electrocatalysts for the oxygen reduction reaction in acid medium10.1016/j.electacta.2014.07.003 ↗
56. Boosting the ORR active and Zn-air battery performance through ameliorating the coordination environment of iron phthalocyanine10.1016/j.cej.2021.132691 ↗
57. Substituent effect on catalytic activity of Co phthalocyanines for oxygen reduction reactions10.1016/j.inoche.2021.108518 ↗
58. Fluorinated-cobalt phthalocyanine catalyzed oxygen reduction at liquid/liquid interfaces10.1016/j.electacta.2012.09.059 ↗