1991
DOI: 10.1021/ie00059a023
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The chemistry and free energy of formation of silver nitride

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Cited by 39 publications
(30 citation statements)
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“…18) and Ag 3 N (Ref. 19) suggests that a Au 3 N stoichiometry is a good starting point for further investigation. Using DFT with first-principles pseudopotentials it is possible to directly compare the total energy for different Au 3 N crystal structures, including complex crystal structures with bases consisting of many Au 3 N units, and to identify the optimum lattice parameters for these structures.…”
Section: Resultsmentioning
confidence: 99%
“…18) and Ag 3 N (Ref. 19) suggests that a Au 3 N stoichiometry is a good starting point for further investigation. Using DFT with first-principles pseudopotentials it is possible to directly compare the total energy for different Au 3 N crystal structures, including complex crystal structures with bases consisting of many Au 3 N units, and to identify the optimum lattice parameters for these structures.…”
Section: Resultsmentioning
confidence: 99%
“…The first example is provided by Ag 3 N. This compound is extremely explosive at ambient pressure, 138 due to its susceptibility to decompose to the constituent elements. However, our GGA/PBE calculations show that hypothetical Ag 3 N might be stabilized by addition of atomic Xe with the concomitant formation of [Ag 3 Xe]N under elevated pressure.…”
Section: Xe As a Mediator Of Formation Reactions Of Novel Chemical Comentioning
confidence: 99%
“…It is known 36 that Ag 3 N has anti‐ReO 3 structure as well, but in contrast to Cu 3 N, it is an explosive similar to AgN 3 .…”
Section: Introductionmentioning
confidence: 99%