Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

被引：345

作者：

Fernando, Amendra ^{[1
]}

Dimuthu, K. L. ^{[1
]}

Weerawardene, M. ^{[1
]}

Karimova, Natalia V. ^{[1
]}

Aikens, Christine M. ^{[1
]}

机构：

[1] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA

来源：

CHEMICAL REVIEWS | 2015年 / 115卷 / 12期

基金：

美国国家科学基金会;

关键词：

DENSITY-FUNCTIONAL THEORY; OXYGEN-EVOLVING COMPLEX; OPTICAL-ABSORPTION SPECTRA; ENHANCED RAMAN-SCATTERING; SURFACE-PLASMON RESONANCE; EFFECTIVE CORE POTENTIALS; THIOLATE-PROTECTED AU-38; O BOND FORMATION; GENERALIZED GRADIENT APPROXIMATION; CATALYTIC-OXIDATION REACTIONS;

D O I：

10.1021/cr500506r

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The scientific review examines quantum mechanical calculations on large metal, metal oxide, and metal chalcogenide clusters. The focus of this Review is on the theoretical calculations. Studies on transition and main group metal clusters and nanoparticles with over 10 metal atoms are described and analyzed. Transition metal oxide investigations involving at least four metal oxide units are also examined. The review focuses on semiconducting systems for metal chalcogenides, which include transition metal and main group metal chalcogenides.

引用

页码：6112 / 6216

页数：105

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