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“Electron elevator”, a new mechanism for electronic excitations in irradiated semiconductors

  • Direct quantum simulation of self irradiated silicon by Alfredo Correa shows a mechanism of electron excitations by which a gap state ferries electrons from the valence to conduction band.

LLNL team demonstrates protein damage by shock waves in traumatic brain injury patients

  • New research by Lawrence Livermore scientists Eric Schwegler and Ed Lau shows how shock waves can damage membrane proteins in traumatic brain injury patients.

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

  • Recent work by QSG members Joel Varley and Vince Lordi establishes a strong correlation between device process conditions, surface chemistry, and electronic structure with the goal of further optimizing the long-term stability and radiation response of TlBr-based detectors.

Using hydrogen to enhance lithium ion batteries

  • Lawrence Livermore National Laboratory scientists have found that lithium ion batteries operate longer and faster when their electrodes are treated with hydrogen. Through experiments and calculations, the Livermore team discovered that hydrogen-treated graphene nanofoam electrodes in the LIBs show higher capacity and faster transport.

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes

  • QSG members Mitchell Ong and Vince Lordi use first principles molecular dynamics to examine the solvation and diffusion of Li ions in different bulk organic Li-ion battery electrolytes. They find that the strength of ion solvation is correlated with the magnitude of its diffusion coefficient.



Boron chemistry reported in Chemical Reviews

Homogeneous Electron Gas Characterized in the Warm Dense Regime

Demixing Instability in Dense Molten MgSiO3 and the Phase Diagram of MgO

Nonadiabatic Forces in Ion-Solid Interactions

Photocatalytic CO2 reduction at Titania Surface