Ternary hypervalent silicon hydrides via lithium at high pressure
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Peer-reviewed
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Abstract
Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions composed of hypervalent silicon with H ligands formed under high pressure. Our results reveal two new hypervalent anions: layered-SiH−5 and tricapped triangular prismatic SiH2−. These differ from octahedral SiH2− described in earlier studies. In addition, there are further hydrogen-rich structures, Li3SiH10 and Li2SiH6+δ, which may be stabilised at high pressure. Our work provides pointers to future investigations on hydrogen rich materials.
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3402 Inorganic Chemistry, 40 Engineering, 34 Chemical Sciences
Journal Title
Physical Review Materials
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Journal ISSN
2475-9953
2475-9953
2475-9953
Volume Title
4
Publisher
American Physical Society (APS)
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All rights reserved
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Royal Society (WM150023)
Engineering and Physical Sciences Research Council (EP/P022596/1)
Engineering and Physical Sciences Research Council (EP/P022596/1)