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Title: Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization

Abstract

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e/atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Furthermore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1417363
Report Number(s):
IS-J-9512
Journal ID: ISSN 0001-4842; TRN: US1801044
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Accounts of Chemical Research
Additional Journal Information:
Journal Volume: 51; Journal Issue: 1; Journal ID: ISSN 0001-4842
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Lin, Qisheng, and Miller, Gordon J. Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization. United States: N. p., 2017. Web. doi:10.1021/acs.accounts.7b00488.
Lin, Qisheng, & Miller, Gordon J. Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization. United States. doi:10.1021/acs.accounts.7b00488.
Lin, Qisheng, and Miller, Gordon J. Mon . "Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization". United States. doi:10.1021/acs.accounts.7b00488. https://www.osti.gov/servlets/purl/1417363.
@article{osti_1417363,
title = {Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization},
author = {Lin, Qisheng and Miller, Gordon J.},
abstractNote = {Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e–/atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Furthermore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate.},
doi = {10.1021/acs.accounts.7b00488},
journal = {Accounts of Chemical Research},
number = 1,
volume = 51,
place = {United States},
year = {2017},
month = {12}
}

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Works referencing / citing this record:

Catalytic properties of Al 13 TM 4 complex intermetallics: influence of the transition metal and the surface orientation on butadiene hydrogenation
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  • Piccolo, Laurent; Chatelier, Corentin; De Weerd, Marie-Cécile
  • Science and Technology of Advanced Materials, Vol. 20, Issue 1
  • DOI: 10.1080/14686996.2019.1608792

Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials
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  • Ertural, Christina; Steinberg, Simon; Dronskowski, Richard
  • RSC Advances, Vol. 9, Issue 51
  • DOI: 10.1039/c9ra05190b

Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials
journal, January 2019

  • Ertural, Christina; Steinberg, Simon; Dronskowski, Richard
  • RSC Advances, Vol. 9, Issue 51
  • DOI: 10.1039/c9ra05190b

Catalytic properties of Al 13 TM 4 complex intermetallics: influence of the transition metal and the surface orientation on butadiene hydrogenation
journal, May 2019

  • Piccolo, Laurent; Chatelier, Corentin; De Weerd, Marie-Cécile
  • Science and Technology of Advanced Materials, Vol. 20, Issue 1
  • DOI: 10.1080/14686996.2019.1608792