Cargando…

Adsorption of iron tetraphenylporphyrin on (111) surfaces of coinage metals: a density functional theory study

The adsorption of the iron tetraphenylporphyrin (FeTPP) molecule in its deckchair conformation was investigated on Au(111), Ag(111) and Cu(111) surfaces by performing spin-polarized density functional theory (DFT) calculations taking into account both van der Waals (vdW) interaction and on-site Coul...

Descripción completa

Detalles Bibliográficos
Autores principales:	Tang, Hao, Tarrat, Nathalie, Langlais, Véronique, Wang, Yongfeng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Beilstein-Institut 2017
Materias:	Full Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5704758/ https://www.ncbi.nlm.nih.gov/pubmed/29234584 http://dx.doi.org/10.3762/bjnano.8.248

Ejemplares similares

Theoretical study of the adsorption of benzene on coinage metals
por: Reckien, Werner, et al.
Publicado: (2014)

Density Functional Study of Tetraphenylporphyrin Long-Range Exciton Coupling
por: Moore, Barry, et al.
Publicado: (2012)

Colorimetric and Fluorescent Sensing of SCN(-) Based on meso-Tetraphenylporphyrin/meso-Tetraphenylporphyrin Cobalt(II) System
por: Zhang, Ying, et al.
Publicado: (2007)

Nature of Alkali‐ and Coinage‐Metal Bonds versus Hydrogen Bonds
por: Larrañaga, Olatz, et al.
Publicado: (2021)

Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
por: Iribarren, Iñigo, et al.
Publicado: (2021)

A Comparative Computational Study of the Adsorption of TCNQ and F4-TCNQ on the Coinage Metal Surfaces
por: Otero, Roberto, et al.
Publicado: (2019)

Hetero‐bimetallic Lanthanide‐Coinage Metal Compounds Featuring Possible Metal‐Metal Interactions in the Excited State
por: Dahlen, Milena, et al.
Publicado: (2021)

Heterobimetallic Coinage Metal‐Ruthenium Complexes Supported by Anionic N‐Heterocyclic Carbenes
por: Planer, Sebastian, et al.
Publicado: (2021)

Highly Electrophilic, Catalytically Active and Redox‐Responsive Cobaltoceniumyl and Ferrocenyl Triazolylidene Coinage Metal Complexes
por: Vanicek, Stefan, et al.
Publicado: (2018)

Efficient Blue Phosphorescence in Gold(I)‐Acetylide Functionalized Coinage Metal Bis(amidinate) Complexes
por: Feuerstein, Thomas J., et al.
Publicado: (2020)

Coinage Metal Complexes of Germylene and Stannylene
por: Ghosh, Moushakhi, et al.
Publicado: (2022)

On the Nature of the Bonding in Coinage Metal Halides
por: Đorđević, Slađana, et al.
Publicado: (2022)

Structural Characterization and Lifetimes of Triple‐Stranded Helical Coinage Metal Complexes: Synthesis, Spectroscopy and Quantum Chemical Calculations
por: Wagner, Hanna E., et al.
Publicado: (2020)

Coinage Metal Complexes of Bis(quinoline‐2‐ylmethyl)phenylphosphine‐Simple Reactions Can Lead to Unprecedented Results
por: Kirst, Christin, et al.
Publicado: (2022)

Synthesis, spectroscopic characterization and thermogravimetric analysis of two series of substituted (metallo)tetraphenylporphyrins
por: Al-Shewiki, Rasha K, et al.
Publicado: (2017)

Synthesis, Characterization and Spectral Properties of Substituted Tetraphenylporphyrin Iron Chloride Complexes
por: Sun, Zhi-Cheng, et al.
Publicado: (2011)

The role of ligands in coinage-metal nanoparticles for electronics
por: Kanelidis, Ioannis, et al.
Publicado: (2017)

Stability of Coinage Metals Interacting with C(60)
por: Kuganathan, Navaratnarajah, et al.
Publicado: (2019)

Coinage Metal-Catalyzed Asymmetric Reactions of ortho-Alkynylaryl and Heteroaryl Aldehydes and Ketones
por: Melot, Romain, et al.
Publicado: (2022)

Substitutional Coinage Metals as Promising Defects for Adsorption and Detection of Gases on MoS(2) Monolayers: A Computational Approach
por: Gutierrez-Rodriguez, Josue, et al.
Publicado: (2023)

Aromatic molecules on low-index coinage metal surfaces: Many-body dispersion effects
por: Jiang, Yingda, et al.
Publicado: (2016)

Synthesis and Photophysical Properties of T‐Shaped Coinage‐Metal Complexes
por: Kleinhans, George, et al.
Publicado: (2020)

Electrochemical aspects of coinage metal nanoparticles for catalysis and spectroscopy
por: Roy, Deblina, et al.
Publicado: (2022)

Asymmetrically Substituted Phospholes as Ligands for Coinage Metal Complexes
por: Roesler, Fabian, et al.
Publicado: (2022)

Coinage Metal Cluster Scintillator for X-ray Imaging
por: Han, Kai, et al.
Publicado: (2023)

Origin of the different reactivity of the high‐valent coinage‐metal complexes [RCu( iii )Me(3)](−) and [RAg( iii )Me(3)](−) (R=allyl)
por: Auth, Thomas, et al.
Publicado: (2022)

Stick–slip behaviour on Au(111) with adsorption of copper and sulfate
por: Podgaynyy, Nikolay, et al.
Publicado: (2015)

Relevance of Orbital Interactions and Pauli Repulsion in the Metal–Metal Bond of Coinage Metals
por: Brands, Maria B., et al.
Publicado: (2018)

Milk Protein Adsorption on Metallic Iron Surfaces
por: Mosaddeghi Amini, Parinaz, et al.
Publicado: (2023)

Density Functional Theory Study of Metallic Silicon (111) Plane Structures
por: Tan, Chih Shan
Publicado: (2022)

Adsorption of the ionic liquid [BMP][TFSA] on Au(111) and Ag(111): substrate effects on the structure formation investigated by STM
por: Uhl, Benedikt, et al.
Publicado: (2013)

Molybdenum Nanoscrews: A Novel Non-coinage-Metal Substrate for Surface-Enhanced Raman Scattering
por: An, Di, et al.
Publicado: (2016)

Surface specificity and mechanistic pathway of de-fluorination of C(60)F(48) on coinage metals
por: Palacios-Rivera, Rogger, et al.
Publicado: (2020)

Adsorption sites of $^{111}$In and $^{111m}$Cd on Pd(111) surfaces characterized by the electric field gradient
por: Hunger, E, et al.
Publicado: (1990)

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface
por: Buimaga-Iarinca, Luiza, et al.
Publicado: (2019)

Special Issue: Coinage Metal (Copper, Silver, and Gold) Catalysis
por: Carabineiro, Sónia Alexandra Correia
Publicado: (2016)

Engineering Coinage Metal Nanoclusters for Electroluminescent Light-Emitting Diodes
por: Li, Tingting, et al.
Publicado: (2022)

Thermally Activated Delayed Fluorescence Coinage Metal Cluster Scintillator
por: Peng, Qiu-Chen, et al.
Publicado: (2023)

Coinage-Metal Bond between [1.1.1]Propellane and M(2)/MCl/MCH(3) (M = Cu, Ag, and Au): Cooperativity and Substituents
por: Wang, Ruijing, et al.
Publicado: (2019)

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study
por: Dzade, Nelson Y., et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_7nactm01vlsk2fjrskfhbect0p