94 citations · 268 across the 11 of their papers we have counts for
3 papers · 1 filter
Quantum Prediction of Ultra-Low Thermal Conductivity in Lithium Intercalation Materials
Tianli Feng, Andrew O'Hara, Sokrates T. Pantelides
Lithium-intercalated layered transition-metal oxides, LixTMO2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a…
Formation energies of charged defects in two-dimensional materials -- resolution of long-standing difficulties
Andrew O'Hara, Blair R. Tuttle, Xiao-Guang Zhang +1
Formation energies of charged point defects in semiconductors are calculated using periodic supercells, which entail a divergence arising from long-range Coulombic interactions. Th…
Atomic-Resolution Visualization and Doping Effects of Complex Structures in Intercalated Bilayer Graphene
Jason P. Bonacum, Andrew O'Hara, De-Liang Bao +9
Molecules intercalating two-dimensional (2D) materials form complex structures that have been mostly characterized by spatially averaged techniques. Here we use aberration-correcte…