Self-Assembly of Cobalt-Phthalocyanine Molecules on Epitaxial Graphene on Ir(111)
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September 2012 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Comparative Gas Sensing in Cobalt, Nickel, Copper, Zinc, and Metal-Free Phthalocyanine Chemiresistors
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January 2009 |
Comment on “Periodically Rippled Graphene: Growth and Spatially Resolved Electronic Structure”
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August 2008 |
Comparison of electronic structure and template function of single-layer graphene and a hexagonal boron nitride nanomesh on Ru(0001)
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January 2009 |
Simulation of surface processes
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January 2011 |
Projector augmented-wave method
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December 1994 |
Interface between FePc and Ni(111): Influence of Graphene Buffer Layers
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May 2014 |
Metal–organic interaction probed by First Principles STM simulations
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September 2010 |
Van der Waals density functionals applied to solids
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May 2011 |
Chemisorption of Benzene on Pt(111), Pd(111), and Rh(111) Metal Surfaces: A Structural and Vibrational Comparison from First Principles
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May 2004 |
Pinning of graphene to Ir(111) by flat Ir dots
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April 2008 |
Comparison of the Carbonyl and Nitrosyl Complexes Formed by Adsorption of CO and NO on Monolayers of Iron Phthalocyanine on Au(111)
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November 2011 |
Direct quantitative identification of the “surface trans-effect”
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January 2016 |
Controlling spins in adsorbed molecules by a chemical switch
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August 2010 |
Carbon Dioxide Reduction at a Metal Phthalocyanine Catalyzed Carbon Electrode
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January 1984 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst
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June 2013 |
Structural study of monolayer cobalt phthalocyanine adsorbed on graphite
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February 2013 |
Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
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May 2016 |
Reversible Change of the Spin State in a Manganese Phthalocyanine by Coordination of CO Molecule
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October 2012 |
Evolution of Kondo Resonance from a Single Impurity Molecule to the Two-Dimensional Lattice
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May 2011 |
Nature of the bias-dependent symmetry reduction of iron phthalocyanine on Cu(111)
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August 2015 |
Density functional theory in surface chemistry and catalysis
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January 2011 |
Simultaneous Reduction of CO 2 and Splitting of H 2 O by a Single Immobilized Cobalt Phthalocyanine Electrocatalyst
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April 2016 |
Insights into Current Limitations of Density Functional Theory
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August 2008 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Covalent organic frameworks comprising cobalt porphyrins for catalytic CO 2 reduction in water
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August 2015 |
Epitaxial Growth of Iron Phthalocyanine at the Initial Stage on Au(111) Surface
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February 2007 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
Periodicity, work function and reactivity of graphene on Ru(0001) from first principles
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April 2010 |
Electronic ground state of iron(II) phthalocyanine as determined from accurate diffraction data
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September 1983 |
Molecule–Substrate Coupling between Metal Phthalocyanines and Epitaxial Graphene Grown on Ru(0001) and Pt(111)
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June 2012 |
Graphene-Induced Magnetic Anisotropy of a Two-Dimensional Iron Phthalocyanine Network
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April 2015 |
Role of Dispersion Forces in the Structure of Graphene Monolayers on Ru Surfaces
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May 2011 |
Strong Interaction of MnPc on Ni(111): Influence of Graphene Buffer Layer
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November 2014 |
Challenges for Density Functional Theory
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December 2011 |
The adsorption of iron phthalocyanine on graphite: A scanning tunnelling microscopy study
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September 2007 |
Electronic structure and bonding in metal porphyrins, metal=Fe, Co, Ni, Cu, Zn
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July 2002 |
Porphyrins and phthalocyanines in solar photovoltaic cells
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September 2010 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Oxygen structures on Fe(110)
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March 2003 |
Spin- and Energy-Dependent Tunneling through a Single Molecule with Intramolecular Spatial Resolution
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July 2010 |
Van der Waals Density Functional for General Geometries
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June 2004 |
S = 1 Spin State of Divalent Iron. I. Magnetic Properties of Phthalocyanine Iron (II)
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October 1968 |
S = 1 Spin State of Divalent Iron. II. A Mössbauer‐Effect Study of Phthalocyanine Iron (II)
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October 1968 |
Long-range electron tunnelling in oligo-porphyrin molecular wires
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July 2011 |
Graphene on metal surfaces
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June 2009 |
Depopulation of Single-Phthalocyanine Molecular Orbitals upon Pyrrolic-Hydrogen Abstraction on Graphene
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January 2016 |
Towards the computational design of solid catalysts
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April 2009 |
Porphyrins at interfaces
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January 2015 |
Impact of surface chemistry
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September 2010 |
A Cytochrome c Oxidase Model Catalyzes Oxygen to Water Reduction Under Rate-Limiting Electron Flux
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March 2007 |
Tuning the catalytic activity of Ag(110)-supported Fe phthalocyanine in the oxygen reduction reaction
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October 2012 |
Graphene on Ru(0001): Contact Formation and Chemical Reactivity on the Atomic Scale
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November 2010 |
Chemical accuracy for the van der Waals density functional
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December 2009 |
Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100)
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April 2012 |
Electronic and Magnetic Properties of Metal Phthalocyanines on Au(111) Surface: A First-Principles Study
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August 2008 |
Graphene on Ir(111): Physisorption with Chemical Modulation
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July 2011 |
Symmetry-Driven Novel Kondo Effect in a Molecule
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August 2012 |
The cis- and trans-effects of ligands
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January 1973 |
Fresh perspectives for surface coordination chemistry
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June 2009 |
Biochemical significance of porphyrin .pi. cation radicals
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January 1974 |
Reproducibility in density functional theory calculations of solids
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March 2016 |
Electron spectroscopy study of the initial stages of iron phthalocyanine growth on highly oriented pyrolitic graphite
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December 2009 |
Ultrahigh electron mobility in suspended graphene
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June 2008 |
Adsorption of ammonia on multilayer iron phthalocyanine
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March 2011 |
Ammonia adsorption on iron phthalocyanine on Au(111): Influence on adsorbate–substrate coupling and molecular spin
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March 2011 |
Structure Determination of the Coincidence Phase of Graphene on Ru(0001)
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April 2010 |
Chemical origin of a graphene moiré overlayer on Ru(0001)
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January 2008 |
Multiplet Splitting of Metal-Atom Electron Binding Energies
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October 1970 |
Energetics and Hierarchical Interactions of Metal–Phthalocyanines Adsorbed on Graphene/Ir(111)
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August 2013 |
Binding configuration, electronic structure, and magnetic properties of metal phthalocyanines on a Au(111) surface studied with ab initio calculations
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September 2011 |
Why gold is the noblest of all the metals
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July 1995 |
Higher-accuracy van der Waals density functional
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August 2010 |
Tuning the spin state of iron phthalocyanine by ligand adsorption
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November 2010 |
Adsorption of Palladium Phthalocyanine on Graphite: STM and LEED Study
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June 2004 |
Site-Specific Kondo Effect at Ambient Temperatures in Iron-Based Molecules
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September 2007 |
Tunability of Supramolecular Kagome Lattices of Magnetic Phthalocyanines Using Graphene-Based Moiré Patterns as Templates
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October 2009 |
Inhomogeneous Electron Gas
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November 1964 |
Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals
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July 2015 |
Inhomogeneous Electron Gas
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March 1973 |
Tunable magnetoresistance in an asymmetrically coupled single-molecule junction
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January 2015 |
Unidirectional Spin-Dependent Molecule-Ferromagnet Hybridized States Anisotropy in Cobalt Phthalocyanine Based Magnetic Tunnel Junctions
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May 2015 |
Room-Temperature Reactions for Self-Cleaning Molecular Nanosensors
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January 2013 |
Coverage-Driven Electronic Decoupling of Fe-Phthalocyanine from a Ag(111) Substrate
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journal
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May 2011 |
The Surface Trans Effect: Influence of Axial Ligands on the Surface Chemical Bonds of Adsorbed Metalloporphyrins
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journal
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April 2011 |
Scanning Tunneling Microscopy of Metal Phthalocyanines: d 6 and d 8 Cases
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July 1997 |
Scanning tunneling microscope study of iron(II) phthalocyanine growth on metals and insulating surfaces
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February 2008 |
Key to control and advance myriad technologies
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January 2011 |
On-surface coordination chemistry of planar molecular spin systems: novel magnetochemical effects induced by axial ligands
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January 2012 |
Electronic structure and bonding in metal phthalocyanines, Metal=Fe, Co, Ni, Cu, Zn, Mg
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journal
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June 2001 |
Reversible Manipulation of the Magnetic Coupling of Single Molecular Spins in Fe-Porphyrins to a Ferromagnetic Substrate
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May 2011 |
Pyridine Adsorption on Single-Layer Iron Phthalocyanine on Au(111)
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September 2011 |
STM and STS investigation of ultrathin tin phthalocyanine layers adsorbed on HOPG() and Au()
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January 2001 |
Reaction of Phthalocyanines with Graphene on Ir(111)
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July 2015 |
Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphite
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September 2007 |
Spin-mixed ground state of Fe phthalocyanine and the temperature-dependent branching ratio in X-ray absorption spectroscopy
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August 1988 |
Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals
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June 2011 |
Parallel Nanoimprint Forming of One-Dimensional Chiral Semiconductor for Strain-Engineered Optical Properties
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August 2020 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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journal
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May 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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journal
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February 2020 |
Structure determination of the coincidence phase of graphene on Ru(0001)
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text
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January 2010 |
Comparison of electronic structure and template function of single-layer graphene and a hexagonal boron nitride nanomesh on Ru(0001)
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text
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January 2009 |
Ultrahigh electron mobility in suspended graphene
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text
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January 2008 |
Chemical accuracy for the van der Waals density functional
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preprint
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January 2009 |
Van der Waals density functionals applied to solids
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text
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January 2011 |
Tunable magnetoresistance in an asymmetrically coupled single molecule junction
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text
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January 2015 |
Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
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text
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January 2016 |