Li44Si

Li44Si is a notation that appears mainly in discussions of lithium–silicon clusters and theoretical intermetallic systems, rather than as a widely recognized bulk compound. In the context of materials science, the Li–Si binary system is known to form several intermetallic phases with silicon, such as Li15Si4 and Li7Si3, and to produce amorphous, highly lithiated silicon alloys during electrochemical lithiation. There is no well-established bulk phase with the exact stoichiometry Li44Si that is routinely cited in phase diagrams or materials databases.

In cluster chemistry and computational studies, Li44Si may refer to a neutral or charged nano-cluster consisting of 44 lithium atoms coordinated around a silicon center or core. Such clusters are explored to understand size-, charge-, and geometry-dependent stability, electron transfer, and bonding in lithium-rich environments. Predicted structures often emphasize compact, highly symmetric arrangements and investigation of fragmentation channels, binding energies, and vibrational properties. Because these systems exist at the nanoscale, their properties can differ markedly from bulk behavior and can depend on charge state and environment (gas phase versus substrate).

As a model system, Li44Si can contribute to broader insights into lithiation mechanisms, nanocluster stability, and silicon’s role in lithium-rich contexts. It is not used as a conventional material designation for practical synthesis or application, but rather as a subject of theoretical and spectroscopic study. Related topics include other Li–Si clusters and the established Li–Si intermetallic phases and their roles in silicon-based energy storage research.