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Unveiling Correlations in Metal‐Organic Interface Properties: A Computational Exploration of Alternant and Non‐Alternant π‐Electron Systems
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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25th Anniversary Article: Organic Field‐Effect Transistors: The Path Beyond Amorphous Silicon
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The Larger Acenes: Versatile Organic Semiconductors
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Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology
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Pushing the Limits of Acene Chemistry: The Recent Surge of Large Acenes
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Organic Electronic Devices and Their Functional Interfaces
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Application of Azulene in Constructing Organic Optoelectronic Materials: New Tricks for an Old Dog
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Effect of the damping function in dispersion corrected density functional theory
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The road to bis‐periazulene (cyclohepta[def]fluorene): Realizing one of the long‐standing dreams in nonalternant hydrocarbons
inferredcites →https://doi.org/10.1002/smtd.202000628openalex-snapshot
Azulene‐Based Molecules, Polymers, and Frameworks for Optoelectronic and Energy Applications
inferredcites →https://doi.org/10.1002/tcr.201402077openalex-snapshot
Non‐Alternant Non‐Benzenoid A romatic C ompounds: Past, Present, and Future
inferredcites →https://doi.org/10.1007/bf00549096openalex-snapshot
Bonded-atom fragments for describing molecular charge densities
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The golden jubilee of the Coulson-Rushbrooke pairing theorem
inferredcites →https://doi.org/10.1016/j.jiec.2013.09.036openalex-snapshot
Organic materials for organic electronic devices
inferredcites →https://doi.org/10.1016/j.physe.2007.06.020openalex-snapshot
Graphene nano-ribbon electronics
inferredcites →https://doi.org/10.1016/j.susc.2024.122625openalex-snapshot
The surface chemical bond of a nonbenzenoid aromatic hydrocarbon: Acepleiadylene versus pyrene
inferredcites →https://doi.org/10.1016/s0079-6700(01)00043-0openalex-snapshot
Processible conjugated polymers: from organic semiconductors to organic metals and superconductors
inferredcites →https://doi.org/10.1021/acs.accounts.0c00893openalex-snapshot
Azulene-Based π-Functional Materials: Design, Synthesis, and Applications
inferredcites →https://doi.org/10.1021/acs.chemmater.9b03744openalex-snapshot
Enhanced Bonding of Pentagon–Heptagon Defects in Graphene to Metal Surfaces: Insights from the Adsorption of Azulene and Naphthalene to Pt(111)
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Chemisorption and Physisorption at the Metal/Organic Interface: Bond Energies of Naphthalene and Azulene on Coinage Metal Surfaces
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Molecule–Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces: Naphthalene versus Azulene on Ag(111) and Cu(111)
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Topological Stone–Wales Defects Enhance Bonding and Electronic Coupling at the Graphene/Metal Interface
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Tetracene Formation by On-Surface Reduction
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π-Conjugated Polymers for Organic Electronics and Photovoltaic Cell Applications
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Pentalene: Formation, Electronic, and Vibrational Structure
inferredcites →https://doi.org/10.1021/jacs.2c00476openalex-snapshot
Bis-periazulene (Cyclohepta[def]fluorene) as a Nonalternant Isomer of Pyrene: Synthesis and Characterization of Its Triaryl Derivatives
inferredcites →https://doi.org/10.1038/s41578-019-0127-yopenalex-snapshot
Interfaces in organic electronics
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The dynamics of benzene on Cu(111): a combined helium spin echo and dispersion-corrected DFT study into the diffusion of physisorbed aromatics on metal surfaces
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Vacuum level alignment at organic/metal junctions: “Cushion” effect and the interface dipole
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1088/1361-648x/ac1aeeopenalex-snapshot
Surface functionalization with nonalternant aromatic compounds: a computational study of azulene and naphthalene on Si(001)
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Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response
inferredcites →https://doi.org/10.1088/1367-2630/18/11/111002openalex-snapshot
Quantitative model studies for interfaces in organic electronic devices
inferredcites →https://doi.org/10.1088/2043-6262/7/2/023002openalex-snapshot
Promising applications of graphene and graphene-based nanostructures
inferredcites →https://doi.org/10.1103/physrevb.46.16067openalex-snapshot
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.51.4014openalex-snapshot
Periodic boundary conditions in ab initio calculations
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.70.245415openalex-snapshot
Manipulation and adsorption-site mapping of single pentacene molecules on Cu(111)
inferredcites →https://doi.org/10.1103/physrevb.84.165436openalex-snapshot
Monolayer and bilayer pentacene on Cu(111)
inferredcites →https://doi.org/10.1103/physrevlett.102.073005openalex-snapshot
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
inferredcites →https://doi.org/10.1103/physrevlett.132.196201openalex-snapshot
Structure of Graphene Grown on Cu(111): X-Ray Standing Wave Measurement and Density Functional Theory Prediction
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.78.1396openalex-snapshot
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
inferredcites →https://doi.org/10.1103/physrevx.9.011030openalex-snapshot
Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements
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White organic light-emitting diodes: Status and perspective
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Metal–organic interface and charge injection in organic electronic devices
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Breathing New Life into Nonalternant Hydrocarbon Chemistry: Syntheses and Properties of Polycyclic Hydrocarbons Containing Azulene, Pentalene, and Heptalene Frameworks
inferredcites →https://doi.org/10.1557/jmr.2004.0251openalex-snapshot
Growth of aromatic molecules on solid substrates for applications in organic electronics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1016/j.cplett.2025.142435openalex-snapshot
Designing small organic compounds with ultrastrong dipole moments
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c05720openalex-snapshot
Molecular Aromaticity Determines Metal–Organic Interface Properties: Alternant and Nonalternant π-Electron Systems on Cu(111)
inferred← citeshttps://doi.org/10.1557/s43580-025-01396-4openalex-snapshot
Mechanistic insights into the corrosion inhibition of AA6063 aluminium alloy in NaOH solution using chicken bone ash: Experimental and analytical studies
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