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×îÐÂÒ»ÆÚµÄ¶¥¼¶×ÛÊöÔÓÖ¾Chemical Reviews¿¯·¢ÁËÌâĿΪStructure¨CProperty Relationship and Chemical Aspects of Oxide¨CMetal Hybrid NanostructuresµÄ´ó×ÛÊö£¬·Ç³£ÏêϸµÄ½éÉÜÁËÑõ»¯ÎÖ÷ҪΪ½ðÊôÑõ»¯Î-½ðÊôÔÓ»¯ÄÉÃ׽ṹÖнṹÓëÐÔÖÊÖ®¼äµÄ¹ØÏµ£¬ÀíÂÛ¼ÆËãÓëʵÑ飬ÒÔ¼°ÔÓ»¯½á¹¹ÔÚ»¯Ñ§½Ç¶ÈµÄ¶Àµ½¼û½â¡£È«ÎÄ59Ò³£¬ÒýÎÄ421ƪ¡£ 1. Introduction 2. Experimental Aspects and Theoretical Methods 2.1. Experimental Aspects: Fabrication Procedures 2.2. Theoretical Methods 2.2.1. Density Functional Theory (DFT) Approaches 2.2.2. Local and Semilocal xc-Functionals 2.2.3. Hybrid xc-Functionals 2.2.4. Density of States (DOS) 2.2.5. Post-DFT and DFT+U Methods 2.2.6. Requirements for Theoretical Methods 2.2.7. Structure Prediction 3. Atomic Structure Concepts 3.1. Interface Geometry 3.1.1. TM¨CO (100)-Derived Structures 3.1.2. TM¨CO (111)-Derived Bilayer Structures 3.1.3. Hexagonal O¨CTM¨CO (111) Trilayer Structures 3.1.4. Single-Layer Structures with Unusual Building Elements 3.1.5. Early Transition Metal Oxides 3.2. Chemical Interactions at the Interface 3.3. External Variables and Surface Oxide Phase Diagrams 3.4. Effects of Low Dimensionality 3.5. Defects as a Structure-Stabilizing Concept 4. Structure¨CProperty Relationships 4.1. Electronic Structure of Oxide Ultrathin Films 4.1.1. Dependence of the Work Function on the Oxide Film 4.1.2. Band Structure and Metallization 4.1.3. Excited States 4.2. Vibrational Properties 4.2.1. Thickness-Dependent Vibrational Properties 4.2.2. Vibrational Properties of 2D Oxide Nanolayers: Local Building Block Concepts 4.3. Magnetic Properties 4.4. Chemical Properties 4.4.1. Reactions on ¡°Inverse Model Catalyst¡± Surfaces 4.4.2. Reactions on Oxide Nanolayer Surfaces 4.4.3. Morphological Aspects during Reactions on Oxide Nanolayers 5. Synopsis . cr-2012-00307n_0071.gif [ À´×Ô¿ÆÑмÒ×å ²ÄÁϼÒ×å ] |
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