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Density Functional Theory Study of Transitional Metal Macrocyclic Complexes' Dioxygen-Binding Abilities and Their Catalytic Activities toward Oxygen Reduction Reaction

https://doi.org/10.1021/jp0671749
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1099-1409(199710)1:4<333::aid-jpp40>3.0.co;2-4openalex-snapshot
Cobalt Octaethyltetrapyrazinoporphyrazine: Spectroscopy, and Electrocatalytic and Kinetic Study of Dioxygen Reduction at a Glassy Carbon Electrode
inferredcites →https://doi.org/10.1002/bbpc.19810850917openalex-snapshot
Oxygen Reduction on Transition‐Metal Porphyrins in Acid Electrolyte I. Activity
inferredcites →https://doi.org/10.1007/bf00618991openalex-snapshot
The redox mechanism of the chelate-catalysed oxygen cathode
inferredcites →https://doi.org/10.1016/0010-8545(92)80031-lopenalex-snapshot
Metallophthalocyanines as catalysts in electrochemical reactions
inferredcites →https://doi.org/10.1016/0254-0584(89)90010-2openalex-snapshot
N4 macrocycles as electrocatalysts for the cathodic reduction of oxygen
inferredcites →https://doi.org/10.1016/j.cplett.2004.12.013openalex-snapshot
Orientation dependence of O2 dissociation from heme–O2 adduct
inferredcites →https://doi.org/10.1016/j.jelechem.2005.09.020openalex-snapshot
Electrochemical reduction of the O2 molecule to the radical ion – A theoretical approach
inferredcites →https://doi.org/10.1016/j.jinorgbio.2004.11.008openalex-snapshot
O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods
inferredcites →https://doi.org/10.1016/j.jinorgbio.2005.10.011openalex-snapshot
DFT and the electromerism in complexes of iron with diatomic ligands
inferredcites →https://doi.org/10.1016/s0013-4686(98)00257-6openalex-snapshot
Linear versus volcano correlations between electrocatalytic activity and redox and electronic properties of metallophthalocyanines
inferredcites →https://doi.org/10.1016/s0022-0728(00)00209-6openalex-snapshot
Reactivity of immobilized cobalt phthalocyanines for the electroreduction of molecular oxygen in terms of molecular hardness
inferredcites →https://doi.org/10.1021/ic00081a029openalex-snapshot
Metal-Macrocycle Interaction in Phthalocyanines: Density Functional Calculations of Ground and Excited States
inferredcites →https://doi.org/10.1021/ic00085a017openalex-snapshot
Crystal and Molecular Structure of (Octaethylporphinato)cobalt(II). Comparison of the Structures of Four-Coordinate M(TPP) and M(OEP) Derivatives (M = Fe-Cu). Use of Area Detector Data
inferredcites →https://doi.org/10.1021/ic00194a043openalex-snapshot
Generalized molecular orbital calculations on transition-metal dioxygen complexes. Models for iron and cobalt porphyrins
inferredcites →https://doi.org/10.1021/ic50166a056openalex-snapshot
Stereochemistry of low-spin cobalt porphyrins. 8. .alpha.,.beta.,.gamma.,.delta.-Tetraphenylporphinatocobalt(II)
inferredcites →https://doi.org/10.1021/ic50166a057openalex-snapshot
Use of electron spin resonance data to assist in the assignment of vanadyl optical transitions
inferredcites →https://doi.org/10.1021/j100302a021openalex-snapshot
Electrocatalytic oxygen reduction: the role of oxygen bridges as a structural factor in the activity of transition-metal phthalocyanines
inferredcites →https://doi.org/10.1021/ja00009a013openalex-snapshot
Cation solvation in Nafion/copper(2+) swollen by acetonitrile from multifrequency ESR and simulations
inferredcites →https://doi.org/10.1021/ja00399a004openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00843a015openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00843a016openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja990042ropenalex-snapshot
Determinants of the FeXO (X = C, N, O) Vibrational Frequencies in Heme Adducts from Experiment and Density Functional Theory
inferredcites →https://doi.org/10.1021/jp0347320openalex-snapshot
Ab Initio Comparative Study of the Structure and Properties of H2-Porphin and H2-Phthalocyanine. The Electronic Absorption Spectra
inferredcites →https://doi.org/10.1021/jp9722115openalex-snapshot
Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes: A Density Functional Study
inferredcites →https://doi.org/10.1038/2011213a0openalex-snapshot
Hysteresis of Rubbers loaded with Carbon Black
inferredcites →https://doi.org/10.1038/202083b0openalex-snapshot
Nature of the Iron–Oxygen Bond in Oxyhæmoglobin
inferredcites →https://doi.org/10.1038/202084a0openalex-snapshot
Infra-red Spectra of Deuterated Gelatin Sols
inferredcites →https://doi.org/10.1038/203183b0openalex-snapshot
Molecular Orbital Evidence for Weiss's Oxyhæmoglobin Structure
inferredcites →https://doi.org/10.1063/1.1947187openalex-snapshot
Comparative study of O2 dissociation on various metalloporphyrins
inferredcites →https://doi.org/10.1063/1.437867openalex-snapshot
Photoelectron spectroscopy of phthalocyanine vapors
inferredcites →https://doi.org/10.1063/1.447821openalex-snapshot
Electron density studies of porphyrins and phthalocyanines. III. The electronic ground state of iron(II) phthalocyanine
inferredcites →https://doi.org/10.1063/1.450617openalex-snapshot
Electron density studies of porphyrins and phthalocyanines. IV. Electron density distribution in crystals of (meso-tetraphenylporphinato) iron(II)
inferredcites →https://doi.org/10.1063/1.454033openalex-snapshot
A multicenter numerical integration scheme for polyatomic molecules
inferredcites →https://doi.org/10.1073/pnas.72.6.2335openalex-snapshot
Ozone Model for Bonding of an O 2 to Heme in Oxyhemoglobin
inferredcites →https://doi.org/10.1073/pnas.74.4.1315openalex-snapshot
Molecular description of dioxygen bonding in hemoglobin.
inferredcites →https://doi.org/10.1103/physrevb.45.13244openalex-snapshot
Accurate and simple analytic representation of the electron-gas correlation energy

What points at this work

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inferred← citeshttps://doi.org/10.2139/ssrn.4020521openalex-extracted
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inferred← citeshttps://doi.org/10.2139/ssrn.4116430openalex-extracted
inferred← citeshttps://doi.org/10.2139/ssrn.4803179openalex-extracted
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inferred← citeshttps://doi.org/10.1002/9781119242659.ch7openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527664900.ch6openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527830572.ch6openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/adma.201900843openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/adsu.201700036openalex-snapshot
Recent Progress on the Development of Metal‐Air Batteries
inferred← citeshttps://doi.org/10.1002/ange.201303200openalex-snapshot
Fixierung von O2 und CO an Metallporphyrin‐Anionen in der Gasphase
inferred← citeshttps://doi.org/10.1002/ange.201604311openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/ange.202003917openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/ange.202218567openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/anie.201303200openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/anie.201604311openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/anie.202003917openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/anie.202218567openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cctc.201901785openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/celc.201800977openalex-snapshot
Electrochemical and Spectroscopic Study of Homo‐ and Hetero‐Dimetallic Phthalocyanines as Catalysts for the Oxygen Reduction Reaction in Acidic Media
inferred← citeshttps://doi.org/10.1002/celc.202400258openalex-snapshot
Thienyl‐Bridged Fused Porphyrin Tapes for Enhanced Heterogeneous Electrocatalytic Activity
inferred← citeshttps://doi.org/10.1002/chem.201404454openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/chem.201702615openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cnma.202300027openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/elan.201000599openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/smtd.201800059openalex-snapshot
Design and Integration of Molecular‐Type Catalysts in Fuel‐Cell Technology
inferred← citeshttps://doi.org/10.1007/978-1-4471-4911-8_11openalex-snapshot
Theoretical Study of Oxygen Reduction Reaction Catalysts: From Pt to Non-precious Metal Catalysts
inferred← citeshttps://doi.org/10.1007/978-1-4471-4911-8_15openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-84800-936-3_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-84800-936-3_5openalex-snapshot
Application of First Principles Methods in the Study of Fuel Cell Air-Cathode Electrocatalysis
inferred← citeshttps://doi.org/10.1007/978-3-319-31172-2_1openalex-snapshot
Oxygen Electroreduction on M-N4 Macrocyclic Complexes
inferred← citeshttps://doi.org/10.1007/978-3-319-92917-0_12openalex-snapshot
Carbon Nanotube-Based Non-Pt Fuel Cell Catalysts
inferred← citeshttps://doi.org/10.1007/978-90-481-3696-4_12openalex-snapshot
Reactivity and Selectivity of Heterogenized Homogeneous Catalysts: Insights from Molecular Simulations
inferred← citeshttps://doi.org/10.1007/s00339-008-5007-zopenalex-snapshot
Density functional theory of transition metal phthalocyanines, I: electronic structure of NiPc and CoPc—self-interaction effects
inferred← citeshttps://doi.org/10.1007/s00894-014-2131-xopenalex-snapshot
Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand
inferred← citeshttps://doi.org/10.1007/s00894-015-2619-zopenalex-snapshot
Electronic effects of the substituent on the dioxygen-activating abilities of substituted iron tetraphenylporphyrins: a theoretical study
inferred← citeshttps://doi.org/10.1007/s10008-011-1394-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10008-014-2628-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11243-008-9114-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11244-020-01333-9openalex-snapshot
Dioxygen at Biomimetic Single Metal-Atom Sites: Stabilization or Activation? The Case of CoTPyP/Au(111)
inferred← citeshttps://doi.org/10.1007/s11581-016-1730-1openalex-snapshot
Carbon-supported Co(III) dimer for oxygen reduction reaction in alkaline medium
inferred← citeshttps://doi.org/10.1007/s11696-017-0212-xopenalex-snapshot
Chemical reactivity descriptors evaluation for determining catalytic activity, redox potential, and oxygen binding of metallophthalocyanines
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.13572-3openalex-snapshot
Oxygen Reduction on Carbon-Supported Metallophthalocyanines and Metalloporphyrins
inferred← citeshttps://doi.org/10.1016/b978-0-444-63278-4.00004-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.apmt.2015.12.004openalex-snapshot
A novel iron (II) tetranitrophthalocyanine/graphene composite as the high-performance catalyst for the oxygen reduction reaction in an alkaline medium
inferred← citeshttps://doi.org/10.1016/j.apsusc.2014.09.056openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.apsusc.2017.10.206openalex-snapshot
Room temperature Zinc-metallation of cationic porphyrin at graphene surface and enhanced photoelectrocatalytic activity
inferred← citeshttps://doi.org/10.1016/j.cap.2015.03.005openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.carbon.2014.06.047openalex-snapshot
Ordered mesoporous Fe (or Co)–N–graphitic carbons as excellent non-precious-metal electrocatalysts for oxygen reduction
inferred← citeshttps://doi.org/10.1016/j.carbon.2019.01.022openalex-snapshot
A comparative study of iron phthalocyanine electrocatalysts supported on different nanocarbons for oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.cattod.2017.05.007openalex-snapshot
Oxygen reduction reaction at porphyrin-based electrochemical catalysts: Mechanistic effects of pH and spin states studied by density functional theory
inferred← citeshttps://doi.org/10.1016/j.ccr.2009.03.011openalex-snapshot
Transition metal and nitrogen doped carbon nanostructures
inferred← citeshttps://doi.org/10.1016/j.ccr.2010.05.001openalex-snapshot
Metallophthalocyanine-based molecular materials as catalysts for electrochemical reactions
inferred← citeshttps://doi.org/10.1016/j.ccr.2016.02.002openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ccr.2026.218444openalex-snapshot
Phthalocyanine metal complexes for advanced batteries and supercapacitors: from molecular engineering to AI-driven materials discovery
inferred← citeshttps://doi.org/10.1016/j.cej.2022.136784openalex-snapshot
A catalyst-free preparation of conjugated poly iron-phthalocyanine and its superior oxygen reduction reaction activity
inferred← citeshttps://doi.org/10.1016/j.cej.2022.138684openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemosphere.2024.142204openalex-snapshot
Enhanced electrocatalytic removal of bisphenol a by introducing Co/N into precursor formed from phenolic resin waste
inferred← citeshttps://doi.org/10.1016/j.coelec.2018.04.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.coelec.2021.100923openalex-snapshot
Activity volcano plots for the oxygen reduction reaction using FeN4 complexes: From reported experimental data to the electrochemical meaning
inferred← citeshttps://doi.org/10.1016/j.coelec.2025.101779openalex-snapshot
Electrochemical hardness: A reactivity descriptor for the electrocatalytic activity of MN4 molecular catalysts for the reduction of O2 in aqueous media
inferred← citeshttps://doi.org/10.1016/j.commatsci.2016.12.012openalex-snapshot
Electronic structure and oxygen reduction on tunable [Ti(IV)Pc]2+ and Ti(II)Pc titanyl-phthalocyanines: A quantum chemical prediction
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.05.048openalex-snapshot
Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.09.033openalex-snapshot
Reactivity trends of Fe phthalocyanines confined on graphite electrodes in terms of donor–acceptor intermolecular hardness: Linear versus volcano correlations
inferred← citeshttps://doi.org/10.1016/j.elecom.2010.08.028openalex-snapshot
Iron (II) tetrakis(diaquaplatinum) octacarboxyphthalocyanine supported on multi-walled carbon nanotubes as effective electrocatalyst for oxygen reduction reaction in alkaline medium
inferred← citeshttps://doi.org/10.1016/j.elecom.2026.108157openalex-snapshot
Reinterpreting volcano correlations in bio-inspired Electrocatalysts: The role of active site availability in oxygen reduction
inferred← citeshttps://doi.org/10.1016/j.electacta.2008.01.055openalex-snapshot
Electrocatalytic activity and stability of substituted iron phthalocyanines towards oxygen reduction evaluated at different temperatures
inferred← citeshttps://doi.org/10.1016/j.electacta.2014.12.081openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.electacta.2017.05.199openalex-snapshot
Reduction potential tuning of first row transition metal MIII/MII (M = Cr, Mn, Fe, Co, Ni) hexadentate complexes for viable aqueous redox flow battery catholytes: A DFT study
inferred← citeshttps://doi.org/10.1016/j.electacta.2018.01.177openalex-snapshot
Biomimicking vitamin B12. A Co phthalocyanine pyridine axial ligand coordinated catalyst for the oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.ica.2021.120439openalex-snapshot
Matrix isolation infrared study of the interaction of dioxygen with chromium(II)tetraphenylporphyrin
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2014.06.110openalex-snapshot
Novel cathode catalyst for DMFC: Study of the density of states of oxygen adsorption using density functional theory
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2017.10.115openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ijhydene.2020.06.259openalex-snapshot
Carbon-supported cobalt (III) complex for direct reduction of oxygen in alkaline medium
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2021.12.067openalex-snapshot
Enhanced electrocatalytic oxygen reduction reaction from organic-inorganic heterostructure
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2022.03.243openalex-snapshot
Molecular MnN4-Complex immobilized on carbon black as efficient electrocatalyst for oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2024.05.124openalex-snapshot
Role of atomic substitution in first coordination shell of Fe–N–C single atom catalyst towards oxygen reduction reaction: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.inoche.2021.108518openalex-snapshot
Substituent effect on catalytic activity of Co phthalocyanines for oxygen reduction reactions
inferred← citeshttps://doi.org/10.1016/j.isci.2022.104557openalex-snapshot
Theoretical study of the effect of coordination environment on the activity of metal macrocyclic complexes as electrocatalysts for oxygen reduction
inferred← citeshttps://doi.org/10.1016/j.jcis.2022.12.148openalex-snapshot
Surface bonding of MN4 macrocyclic metal complexes with pyridine-functionalized multi-walled carbon nanotubes for non-aqueous Li-O2 batteries
inferred← citeshttps://doi.org/10.1016/j.jechem.2018.01.019openalex-snapshot
Recent developments in electrocatalysts and future prospects for oxygen reduction reaction in polymer electrolyte membrane fuel cells
inferred← citeshttps://doi.org/10.1016/j.jechem.2021.10.011openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jelechem.2023.117859openalex-snapshot
Study of the electrocatalytic activity of silicon and nitrogen co-doped carbon towards oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.jiec.2023.03.057openalex-snapshot
Study of Oxygen Reduction Reaction on Bi-Nuclear-Phthalocyanine with Fe-Fe, Co-Co, and Fe-Co Dual-Atom-Active Sites Using Density Functional Theory
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2013.12.014openalex-snapshot
Cobalt triarylcorroles containing one, two or three nitro groups. Effect of NO2 substitution on electrochemical properties and catalytic activity for reduction of molecular oxygen in acid media
inferred← citeshttps://doi.org/10.1016/j.jmst.2023.04.073openalex-snapshot
Smart tailoring of molecular catalysts: Mounting approach to oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.jmst.2026.09.036openalex-snapshot
Design principles of metallophthalocyanine-based ORR catalysts: Coordination environment and spin-state engineering
inferred← citeshttps://doi.org/10.1016/j.jpowsour.2009.11.112openalex-snapshot
A study of the catalysis of cobalt hydroxide towards the oxygen reduction in alkaline media
inferred← citeshttps://doi.org/10.1016/j.nanoen.2017.02.042openalex-snapshot
Phthalocyanine tethered iron phthalocyanine on graphitized carbon black as superior electrocatalyst for oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.poly.2013.08.044openalex-snapshot
CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study
inferred← citeshttps://doi.org/10.1016/s0898-8838(10)62007-7openalex-snapshot
Computational Studies on Properties, Formation, and Complexation of M(II)-Porphyrins
inferred← citeshttps://doi.org/10.1021/acs.chemmater.9b05289openalex-snapshot
Molecular Engineering of Multifunctional Metallophthalocyanine-Containing Framework Materials
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00299openalex-snapshot
Energy-Related Small Molecule Activation Reactions: Oxygen Reduction and Hydrogen and Oxygen Evolution Reactions Catalyzed by Porphyrin- and Corrole-Based Systems
inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00542openalex-snapshot
Oxygen Reduction by Homogeneous Molecular Catalysts and Electrocatalysts
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.0c00953openalex-snapshot
Advancement of Platinum (Pt)-Free (Non-Pt Precious Metals) and/or Metal-Free (Non-Precious-Metals) Electrocatalysts in Energy Applications: A Review and Perspectives
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b07997openalex-snapshot
Effects of Electrochemical Tailoring of Monolayers on a Catalytic Redox Entity: An ON–OFF Phenomenon Regulated by the Surrounding Medium
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b10327openalex-snapshot
Density Functional Theory Study of Iron Phthalocyanine Porous Layer Deposited on Graphene Substrate: A Pt-Free Electrocatalyst for Hydrogen Fuel Cells
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b04771openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b08498openalex-snapshot
Sensitivity of Density Functional Theory Methodology for Oxygen Reduction Reaction Predictions on Fe–N4-Containing Graphitic Clusters
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b09523openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b11721openalex-snapshot
Oxygen Binding to Active Sites of Fe–N–C ORR Electrocatalysts Observed by Ambient-Pressure XPS
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b00697openalex-snapshot
Pathways for Improving the Photovoltaic Efficiency of Porphyrin and Phosphorene Antidot Lattice Nanocomposites: An Insight from a Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07720openalex-snapshot
Spin Selection Rule in Single-Site Catalysis of Molecular Oxygen Adsorption on Transition-Metal Phthalocyanines
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b09203openalex-snapshot
Combined Experimental and Theoretical Study of Cobalt Corroles as Catalysts for Oxygen Reduction Reaction
inferred← citeshttps://doi.org/10.1021/acsami.0c11742openalex-snapshot
Enhanced Oxygen Reduction Reaction Performance Using Intermolecular Forces Coupled with More Exposed Molecular Orbitals of Triphenylamine in Co-porphyrin Electrocatalysts
inferred← citeshttps://doi.org/10.1021/acsami.2c04332openalex-snapshot
Transition Metal Phthalocyanines as Redox Mediators in Li–O2 Batteries: A Combined Experimental and Theoretical Study of the Influence of 3d Electrons in Redox Mediation
inferred← citeshttps://doi.org/10.1021/acsanm.4c01044openalex-snapshot
Phthalocyanine Polymer Anchored Ketjen Black Nanoparticles for Bifunctional Oxygen Electrocatalysis
inferred← citeshttps://doi.org/10.1021/acscatal.6c00046openalex-snapshot
Investigating the Effect of the Coordination Environment and Bridging Atoms in Fe−N 4 Macrocycles Applied to Alkaline Oxygen Reduction Reaction
inferred← citeshttps://doi.org/10.1021/acssuschemeng.5b00783openalex-snapshot
Facile Synthesis of Hierarchically Structured Bi2S3/Bi2WO6 Photocatalysts for Highly Efficient Reduction of Cr(VI)
inferred← citeshttps://doi.org/10.1021/acssuschemeng.6b01764openalex-snapshot
Pyrolysis of Iron–Vitamin B9 As a Potential Nonprecious Metal Electrocatalyst for Oxygen Reduction Reaction
inferred← citeshttps://doi.org/10.1021/ic300886sopenalex-snapshot
Molecular Oxygen Reduction Electrocatalyzed by meso-Substituted Cobalt Corroles Coated on Edge-Plane Pyrolytic Graphite Electrodes in Acidic Media
inferred← citeshttps://doi.org/10.1021/ja209978qopenalex-snapshot
Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine
inferred← citeshttps://doi.org/10.1021/ja3004914openalex-snapshot
Biomimetic Oxygen Reduction by Cofacial Porphyrins at a Liquid–Liquid Interface
inferred← citeshttps://doi.org/10.1021/ja304431bopenalex-snapshot
Single Molecule Imaging of Oxygenation of Cobalt Octaethylporphyrin at the Solution/Solid Interface: Thermodynamics from Microscopy
inferred← citeshttps://doi.org/10.1021/ja312199hopenalex-snapshot
Efficient Two-Electron Reduction of Dioxygen to Hydrogen Peroxide with One-Electron Reductants with a Small Overpotential Catalyzed by a Cobalt Chlorin Complex
inferred← citeshttps://doi.org/10.1021/ja3125977openalex-snapshot
Enhanced Catalytic Four-Electron Dioxygen (O 2 ) and Two-Electron Hydrogen Peroxide (H 2 O 2 ) Reduction with a Copper(II) Complex Possessing a Pendant Ligand Pivalamido Group
inferred← citeshttps://doi.org/10.1021/jacs.0c03861openalex-snapshot
Controlling the Oxygen Reduction Selectivity of Asymmetric Cobalt Porphyrins by Using Local Electrostatic Interactions
inferred← citeshttps://doi.org/10.1021/jp101036jopenalex-snapshot
Density Functional Theory Study of the Oxygen Reduction Reaction on Metalloporphyrins and Metallophthalocyanines
inferred← citeshttps://doi.org/10.1021/jp1035426openalex-snapshot
Nitric Oxide Adsorption Effects on Metal Phthalocyanines
inferred← citeshttps://doi.org/10.1021/jp2027719openalex-snapshot
Theoretical Study of Possible Active Site Structures in Cobalt- Polypyrrole Catalysts for Oxygen Reduction Reaction
inferred← citeshttps://doi.org/10.1021/jp300764nopenalex-snapshot
Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes
inferred← citeshttps://doi.org/10.1021/jp301093qopenalex-snapshot
Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O2 Anchored to Au(111) via Conjugated Self-Assembled Monolayers of Aromatic Thiols As Compared to Cu Phthalocyanine
inferred← citeshttps://doi.org/10.1021/jp303312ropenalex-snapshot
Molecular and Electronic Structures of Transition-Metal Macrocyclic Complexes as Related to Catalyzing Oxygen Reduction Reactions: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/jp500057xopenalex-snapshot
Inhibitory Effect of Water on the Oxygen Reduction Catalyzed by Cobalt(II) Tetraphenylporphyrin
inferred← citeshttps://doi.org/10.1021/jp709749jopenalex-snapshot
Rational Functionalization of Carbon Nanotube/Ionic Liquid Bucky Gel with Dual Tailor-Made Electrocatalysts for Four-Electron Reduction of Oxygen
inferred← citeshttps://doi.org/10.1021/jp810792dopenalex-snapshot
Catalytic Fe-xN Sites in Carbon Nanotubes
inferred← citeshttps://doi.org/10.1021/jp901620aopenalex-snapshot
Metalloporphyrin−Dioxygen Interactions and the Effects of Neutral Axial Ligands
inferred← citeshttps://doi.org/10.1021/jz3019012openalex-snapshot
Physical Chemistry Research Toward Proton Exchange Membrane Fuel Cell Advancement
inferred← citeshttps://doi.org/10.1021/nl304598popenalex-snapshot
Room-Temperature Reactions for Self-Cleaning Molecular Nanosensors
inferred← citeshttps://doi.org/10.1038/ncomms3076openalex-snapshot
Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst
inferred← citeshttps://doi.org/10.1039/c0cp02715dopenalex-snapshot
Toward understanding macrocycle specificity of iron on the dioxygen-binding ability: a theoretical study
inferred← citeshttps://doi.org/10.1039/c0ee00558dopenalex-snapshot
A review on non-precious metal electrocatalysts for PEM fuel cells
inferred← citeshttps://doi.org/10.1039/c3cs60248fopenalex-snapshot
Oxygen electrocatalysts in metal–air batteries: from aqueous to nonaqueous electrolytes
inferred← citeshttps://doi.org/10.1039/c3ta13515bopenalex-snapshot
High-performance pyrolyzed iron corrole as a potential non-precious metal catalyst for PEMFCs
inferred← citeshttps://doi.org/10.1039/c4cp00037dopenalex-snapshot
Electrocatalytic oxygen reduction kinetics on Fe-center of nitrogen-doped graphene
inferred← citeshttps://doi.org/10.1039/c6ra12426gopenalex-snapshot
Systematic study of transition-metal (Fe, Co, Ni, Cu) phthalocyanines as electrocatalysts for oxygen reduction and their evaluation by DFT
inferred← citeshttps://doi.org/10.1039/c6ta07882fopenalex-snapshot
Pristine carbon nanotube/iron phthalocyanine hybrids with a well-defined nanostructure show excellent efficiency and durability for the oxygen reduction reaction
inferred← citeshttps://doi.org/10.1039/c7ta05222gopenalex-snapshot
Active sites and factors influencing them for efficient oxygen reduction reaction in metal-N coordinated pyrolyzed and non-pyrolyzed catalysts: a review
inferred← citeshttps://doi.org/10.1039/c8cp07463aopenalex-snapshot
Stability of metallo-porphyrin networks under oxygen reduction and evolution conditions in alkaline media
inferred← citeshttps://doi.org/10.1039/c8ee01169aopenalex-snapshot
Boosting oxygen reduction catalysis with abundant copper single atom active sites
inferred← citeshttps://doi.org/10.1039/c8ta04890hopenalex-snapshot
Enhanced polysulfide redox kinetics electro-catalyzed by cobalt phthalocyanine for advanced lithium–sulfur batteries
inferred← citeshttps://doi.org/10.1039/d1ta02925hopenalex-snapshot
Establishing structure/property relationships in atomically dispersed Co–Fe dual site M–N x catalysts on microporous carbon for the oxygen reduction reaction
inferred← citeshttps://doi.org/10.1039/d2ta05991fopenalex-snapshot
Mechanistic insights into metal, nitrogen doped carbon catalysts for oxygen reduction: progress in computational modeling
inferred← citeshttps://doi.org/10.1039/d3nr01272gopenalex-snapshot
Carbon-based single-atom catalysts: impacts of atomic coordination on the oxygen reduction reaction
inferred← citeshttps://doi.org/10.1039/d4sc01284dopenalex-snapshot
Switchable molecular electrocatalysis
inferred← citeshttps://doi.org/10.1063/1.4832696openalex-snapshot
Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes
inferred← citeshttps://doi.org/10.1080/08927020802258690openalex-snapshot
Density functional theory study of the adsorption of oxygen molecule on iron phthalocyanine and cobalt phthalocyanine
inferred← citeshttps://doi.org/10.1080/08927022.2016.1258465openalex-snapshot
Density functional theory for modelling large molecular adsorbate–surface interactions: a mini-review and worked example
inferred← citeshttps://doi.org/10.1103/physrevb.84.155405openalex-snapshot
Catalytic activity toward oxygen reduction of transition metal porphyrins covalently linked to single-walled carbon nanotubes: A density functional study
inferred← citeshttps://doi.org/10.1134/s0036024416120323openalex-snapshot
A comparative DFT study of oxygen reduction reaction on mononuclear and binuclear cobalt and iron phthalocyanines
inferred← citeshttps://doi.org/10.1139/cjc-2013-0400openalex-snapshot
Synthesis and catalytic properties of trans-A2B2-type metalloporphyrins in cyclohexane oxidation
inferred← citeshttps://doi.org/10.1142/s1088424612500356openalex-snapshot
Dioxygen reduction catalyzed by substituted iron tetraphenylporphyrins in acidic media
inferred← citeshttps://doi.org/10.1360/ssc-2024-0121openalex-snapshot
Structural effects of metal porphyrins and metal corroles on the mechanisms of the oxygen reduction reaction
inferred← citeshttps://doi.org/10.1595/147106713x671222openalex-snapshot
The Role of Platinum in Proton Exchange Membrane Fuel Cells
inferred← citeshttps://doi.org/10.20964/2016.07.41openalex-snapshot
The perovskite BaSrCoFeO-MWCNT modified glassy carbon electrode – Its Characterization and Capacity in Oxygen Reduction Reaction
inferred← citeshttps://doi.org/10.20964/2018.02.07openalex-snapshot
Four-Electron Reduction of Oxygen Electrocatalyzed by a Mixture of Porphyrin Complexes onto Glassy Carbon Electrode
inferred← citeshttps://doi.org/10.3390/catal11010122openalex-snapshot
Metallophthalocyanines as Catalysts in Aerobic Oxidation
inferred← citeshttps://doi.org/10.3390/catal11070764openalex-snapshot
On the Oxygen Reduction Reaction Mechanism Catalyzed by Pd Complexes on 2D Carbon. A Theoretical Study
inferred← citeshttps://doi.org/10.3390/en16073111openalex-snapshot
A Critical Review of Polymer Electrolyte Membrane Fuel Cell Systems for Automotive Applications: Components, Materials, and Comparative Assessment
inferred← citeshttps://doi.org/10.3390/molecules29235655openalex-snapshot
Iron Porphyrin-Based Composites for Electrocatalytic Oxygen Reduction Reactions
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amr.634-638.2155openalex-snapshot
Electrochemical Performance of Iron and Cobalt Tetrapyrazinoporphyrazines Supported on Multiwalled Carbon Nanotubes
inferred← citeshttps://doi.org/10.53603/actamanil.65.2017.hloi3981openalex-snapshot
Non-pyrolyzed cobalt-porphyrin cathode catalyst on carbon support as an efficient electrocatalyst for oxygen reduction reaction in basic medium
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