Journal Title
Title of Journal: J Clust Sci
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Abbravation: Journal of Cluster Science
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Publisher
Kluwer Academic Publishers-Plenum Publishers
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Authors: A M Mazzone
Publish Date: 2007/03/08
Volume: 18, Issue: 2, Pages: 459-471
Abstract
This study is motivated by the existence of many phases of tin oxide with a bulk crystalline structure and its purpose is the assessment if this property also applies to the clustered state of this material Therefore small grains of a columnar and a spherical shape with a rutile lattice and a size up to 120 atoms have been considered and their structural and electronic properties are evaluated applying the Density Functional Theory The central result of the calculations is that the rutile skeleton is retained starting from the size 20–40 atoms The main factors contributing to this behaviour are the large interatomic distances in the rutile lattice and the irregular nature of the interatomic forces Due to these effects most of the structural and electronic parameters have a bulklike behaviour with a nearly constant value These values however have a clear dependence on the grain size and shape and significantly diverge from the bulk ones so that the grains have to be regarded as a new phase of the tin oxide materials
Keywords:
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Other Papers In This Journal:
- Reactivity of Alkyne-Substituted Transition Metal Clusters: An Overview
- Molybdenum Bisphosphonates with Cr(III) or Mn(III) Ions
- Novel Nanomaterials Based on Inorganic Molybdenum Octahedral Clusters
- Computer Simulation of Binary Platinum–Cobalt Nanoclusters Interaction with Oxygen
- A New Sandwich Polyoxometalate Constructed from a Zn 6 12+ Hexagon Cluster Sandwiched by Two B-α-[BiW 9 O 33 ] 9−
- Synthesis and Characterization of Stable Iron Oxide Nanoparticle with Amino Covalent Binding on the Surface for Biomedical Application
- Reactions of Unsaturated Quinoline Triosmium Clusters [Os 3 (CO) 9 (μ 3 -η 2 -C 9 H 5 (4-R)N)(μ-H)] (R=Me or H) with Tetramethylthiourea: X-ray Structures of [Os 3 (CO) 8 (μ-η 2 -C 9 H 5 (4-Me)N)(η 2 -SC(NMe 2 NCH 2 Me)(μ-H) 2 ] and [Os 3 (CO) 9 (μ-η 2 -C 9 H 6 N)(η 1 -SC(NMe 2 ) 2 )(μ-H)]
- Introducing Transition-Metal Complex Together with Conjugated Ligand into Polymeric Iodoplumbate: Structure Characterization, Properties and Theoretical Study of a New Semi-Conductive Hybrid: {[Cu(II)(2,2′-bipy) 3 ][Pb 2 I 6 ]} n
- Synthesis of Platinum Nanoparticles-Decorated Poly( p -Phenylenediamine) Colloids with a High Performance for Methanol Electrocatalysis for Direct Methanol Fuel Cells
- Low-Energy Structures of Binary Pt–Sn Clusters from Global Search Using Genetic Algorithm and Density Functional Theory
- Synthesis and Characterization of a 3-D Framework Constructed from [V 12 B 18 O 54 (OH) 6 (H 2 O)] 10− Clusters and K + Cations
- Structural, Electronic, and Magnetic Properties of MB n (M = Y, Zr, Nb, Mo, Tc, Ru, n ≤ 8) Clusters
- One Novel Trinuclear Nickel(II) Cluster Containing a Pyramidal Ni 3 ( μ 3 -OH) Core: Crystal Structure and Hirshfeld Surface Analysis
- Mosquitocidal, Antimalarial and Antidiabetic Potential of Musa paradisiaca -Synthesized Silver Nanoparticles: In Vivo and In Vitro Approaches
- Properties of Au/ZnO Nanocomposite Prepared by Laser Irradiation of the Mixture of Individual Colloids
- Properties of Au/ZnO Nanocomposite Prepared by Laser Irradiation of the Mixture of Individual Colloids
- Foreword
- Metal-to-Ligand Ratio Effect on the Size of Copper Iodide and Copper Bromide Clusters in 1,4-Bis(cyclohexylthio)butane-Spanned Coordination Polymers
- Bio-template Synthesis of Nanoparticle by Cage-shaped Protein Supramolecule, Apoferritin
- Au Nanoparticles Supported Nanoporous ZnO Sphere for Enhanced Photocatalytic Activity Under UV-Light Irradiation
- One-Dimensional Bi 2 WO 6 Nanofibers Controllable Synthesis by Electrospinning and Enhanced Visible Photocatalytic Degradation Performances
- New Member of Organic Ligand Functionalized TMSP: Synthesis, Characterized and Properties of Na 15 [(Mn II (COOH)) 3 (AsW 9 O 33 ) 2 ]·15H 2 O
- Facile Synthesis of ZIF-8/ZnO/Polyoxometalate Ternary Composite Materials for Efficient and Rapid Removal of Cationic Organic Dye
- Investigation of the Thermal Properties of a Series of Copper Selenide Cluster Molecules
- The Reactions of Two New Alkoxy-silyl Functionalized Alkynes with M 3 (CO) 12 {M = Fe, Ru} and Co 2 (CO) 8 . Spectroscopic Identification of the Products
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