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

Here, metal, metal oxide, and metal chalcogenide materials have a wide variety of applications. For example, many metal clusters and nanoparticles are used as catalysts for reactions varying from the oxidation of carbon monoxide to the reduction of protons to hydrogen gas. Noble metal nanoparticles have unique optical properties such as a surface plasmon resonance for large nanoparticles that yield applications in sensing and photonics. In addition, a number of transition metal clusters are magnetic. Metal oxide clusters and surfaces are commonly used as catalysts for reactions such as water splitting. Both metal oxide and metal chalcogenide materials can be semiconducting, which leads to applications in sensors, electronics, and solar cells. Many researchers have been interested in studying nanoparticles and/or small clusters of these materials. Some of the system sizes under investigation have been experimentally synthesized, which enables direct theory–experiment comparison. Other clusters that have been examined theoretically are of interest as models of larger systems or surfaces. Often, the size-dependence of their properties such as their HOMO–LUMO gap, magnetic properties, optical properties, etc., is of interest.
Authors:
 [1] ;  [1] ;  [1] ;  [1]
  1. Kansas State Univ., Manhattan, KS (United States)
Publication Date:
Grant/Contract Number:
SC0012273
Type:
Published Article
Journal Name:
Chemical Reviews
Additional Journal Information:
Journal Volume: 115; Journal Issue: 12; Journal ID: ISSN 0009-2665
Publisher:
American Chemical Society
Research Org:
Kansas State Univ., Manhattan, KS (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1366551
Alternate Identifier(s):
OSTI ID: 1454261

Fernando, Amendra, Weerawardene, K. L. Dimuthu M., Karimova, Natalia V., and Aikens, Christine M.. Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters. United States: N. p., Web. doi:10.1021/cr500506r.
Fernando, Amendra, Weerawardene, K. L. Dimuthu M., Karimova, Natalia V., & Aikens, Christine M.. Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters. United States. doi:10.1021/cr500506r.
Fernando, Amendra, Weerawardene, K. L. Dimuthu M., Karimova, Natalia V., and Aikens, Christine M.. 2015. "Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters". United States. doi:10.1021/cr500506r.
@article{osti_1366551,
title = {Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters},
author = {Fernando, Amendra and Weerawardene, K. L. Dimuthu M. and Karimova, Natalia V. and Aikens, Christine M.},
abstractNote = {Here, metal, metal oxide, and metal chalcogenide materials have a wide variety of applications. For example, many metal clusters and nanoparticles are used as catalysts for reactions varying from the oxidation of carbon monoxide to the reduction of protons to hydrogen gas. Noble metal nanoparticles have unique optical properties such as a surface plasmon resonance for large nanoparticles that yield applications in sensing and photonics. In addition, a number of transition metal clusters are magnetic. Metal oxide clusters and surfaces are commonly used as catalysts for reactions such as water splitting. Both metal oxide and metal chalcogenide materials can be semiconducting, which leads to applications in sensors, electronics, and solar cells. Many researchers have been interested in studying nanoparticles and/or small clusters of these materials. Some of the system sizes under investigation have been experimentally synthesized, which enables direct theory–experiment comparison. Other clusters that have been examined theoretically are of interest as models of larger systems or surfaces. Often, the size-dependence of their properties such as their HOMO–LUMO gap, magnetic properties, optical properties, etc., is of interest.},
doi = {10.1021/cr500506r},
journal = {Chemical Reviews},
number = 12,
volume = 115,
place = {United States},
year = {2015},
month = {4}
}