Ruqian Wu

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Two-dimensional topological insulators (2D TIs) have been proposed as platforms for many intriguing applications, ranging from spintronics to topological quantum information processing. Realizing this potential will likely be facilitated by the discovery of new, easily manufactured materials in this class. With this goal in mind, we introduce a new(More)
Through systematic density functional calculations, the mechanism of the substrate induced spin reorientation transition in FePc/O-Cu(110) is explained in terms of charge transfer and rearrangement of Fe-3d orbitals. Moreover, we find giant magnetoelectric effects in this system, manifested by the sensitive dependence of its magnetic moment and magnetic(More)
Iron pyrite (cubic FeS2) is a promising candidate absorber material for earth-abundant thin-film solar cells. Here, we report on phase-pure, large-grain, and uniform polycrystalline pyrite films that are fabricated by solution-phase deposition of an iron(III) acetylacetonate molecular ink followed by sequential annealing in air, H2S, and sulfur gas at(More)
Using first principles simulations and the Monte Carlo method, the optimal structure of the triple-phase boundaries (TPB) of the Ni/Yttria-Stabilized Zirconia (YSZ) anode in solid oxide fuel cells (SOFCs) is determined. Based on the new TPB microstructures we reveal different reaction pathways for H2 and CO oxidation. In contrast to what was believed in(More)
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