Lithium subhydrides under pressure and their superatom-like building blocks

James Hooper; Eva Zurek

doi:10.1002/cplu.201200130

Lithium subhydrides under pressure and their superatom-like building blocks

James Hooper
, Eva Zurek

Chemistry

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

32 Scopus citations

Abstract

Feeling the pressure: First principles calculations exploring the lithium-rich region of the lithium/hydrogen phase diagram show that the extended systems LimH (m=4-9) become stable at approximately 50 GPa. These lithium subhydrides are constructed from superalkali Li8H clusters, and are both structurally and electronically similar to the well-known alkali metal suboxides.

Original language	English
Pages (from-to)	969-972
Number of pages	4
Journal	Collection of Czechoslovak Chemical Communications
Volume	77
Issue number	11
DOIs	https://doi.org/10.1002/cplu.201200130
State	Published - Nov 2012

Keywords

Ab initio calculations
Alkali metals
Bond theory
High-pressure chemistry
Hydrides

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10.1002/cplu.201200130

Cite this

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abstract = "Feeling the pressure: First principles calculations exploring the lithium-rich region of the lithium/hydrogen phase diagram show that the extended systems LimH (m=4-9) become stable at approximately 50 GPa. These lithium subhydrides are constructed from superalkali Li8H clusters, and are both structurally and electronically similar to the well-known alkali metal suboxides.",

keywords = "Ab initio calculations, Alkali metals, Bond theory, High-pressure chemistry, Hydrides",

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AU - Zurek, Eva

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AB - Feeling the pressure: First principles calculations exploring the lithium-rich region of the lithium/hydrogen phase diagram show that the extended systems LimH (m=4-9) become stable at approximately 50 GPa. These lithium subhydrides are constructed from superalkali Li8H clusters, and are both structurally and electronically similar to the well-known alkali metal suboxides.

KW - Ab initio calculations

KW - Alkali metals

KW - Bond theory

KW - High-pressure chemistry

KW - Hydrides

UR - https://www.scopus.com/pages/publications/84869013780

U2 - 10.1002/cplu.201200130

DO - 10.1002/cplu.201200130

M3 - Article

AN - SCOPUS:84869013780

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JO - Collection of Czechoslovak Chemical Communications

JF - Collection of Czechoslovak Chemical Communications

IS - 11

ER -

Lithium subhydrides under pressure and their superatom-like building blocks

Abstract

Keywords

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